UCSF

Default (Public by wolfwang) Default Purchasability Report

ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14533785
14533785

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.69 8.48 -13.86 2 9 0 104 440.5 10
Lo Low (pH 4.5-6) 2.69 8.74 -38.68 3 9 1 105 441.508 10

Analogs

14531946
14531946

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Vendors

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.91 5.3 -11.14 2 8 0 94 348.403 8
Lo Low (pH 4.5-6) 1.91 5.56 -32.96 3 8 1 96 349.411 8

Analogs

14532013
14532013
14532789
14532789
14532790
14532790
14741214
14741214
14741215
14741215

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.77 13.26 -46.99 3 9 1 99 534.681 11
Lo Low (pH 4.5-6) 4.77 13.53 -98.37 4 9 2 100 535.689 11

Analogs

14532789
14532789
14532790
14532790
14741214
14741214
14741215
14741215
14532012
14532012

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.77 13.08 -45.74 3 9 1 99 534.681 11
Lo Low (pH 4.5-6) 4.77 13.34 -97.89 4 9 2 100 535.689 11

Analogs

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 7.89 -21.25 3 10 0 124 498.58 14
Lo Low (pH 4.5-6) 2.95 8.15 -48.23 4 10 1 125 499.588 14

Analogs

14532048
14532048
14539652
14539652
14539653
14539653

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Vendors

And 3 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 8.88 -18.17 2 8 0 94 440.475 8
Lo Low (pH 4.5-6) 2.46 9.14 -42.54 3 8 1 96 441.483 8

Analogs

14539652
14539652
14539653
14539653
14532047
14532047

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Vendors

And 3 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 9.63 -17.07 2 8 0 94 440.475 8
Lo Low (pH 4.5-6) 2.46 9.9 -46.49 3 8 1 96 441.483 8

Analogs

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.56 10.9 -15.54 2 9 0 111 475.549 10
Lo Low (pH 4.5-6) 3.56 11.15 -43.21 3 9 1 113 476.557 10

Analogs

14532065
14532065
14543267
14543267
14744126
14744126
14744127
14744127

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.95 11.27 -12.32 2 8 0 98 446.507 9
Lo Low (pH 4.5-6) 4.95 11.53 -31.57 3 8 1 100 447.515 9

Analogs

14543267
14543267
14744126
14744126
14744127
14744127
14532064
14532064

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Vendors

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.95 11.02 -18.28 2 8 0 98 446.507 9
Lo Low (pH 4.5-6) 4.95 11.3 -39.83 3 8 1 100 447.515 9

Analogs

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.80 10.91 -17.73 2 8 0 94 474.508 11
Lo Low (pH 4.5-6) 3.80 11.18 -49.21 3 8 1 96 475.516 11

Analogs

14532085
14532085
14532086
14532086
14532087
14532087
14537113
14537113
14537114
14537114

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 8.12 -16.11 2 8 0 94 388.468 8
Lo Low (pH 4.5-6) 2.80 8.39 -39.75 3 8 1 96 389.476 8

Analogs

14532086
14532086
14532087
14532087
14537113
14537113
14537115
14537115
14537116
14537116

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 7.4 -15.31 2 8 0 94 388.468 8
Lo Low (pH 4.5-6) 2.80 7.67 -34.37 3 8 1 96 389.476 8

Analogs

14532087
14532087
14537113
14537113
14537114
14537114
14537115
14537115
14537116
14537116

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 7.39 -15.57 2 8 0 94 388.468 8
Lo Low (pH 4.5-6) 2.80 7.67 -34.1 3 8 1 96 389.476 8

Analogs

14537113
14537113
14537114
14537114
14537115
14537115
14537116
14537116
14537345
14537345

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 8.13 -16.32 2 8 0 94 388.468 8
Lo Low (pH 4.5-6) 2.80 8.41 -41.2 3 8 1 96 389.476 8

Analogs

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Vendors

And 3 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.98 12.72 -16.37 2 8 0 94 518.589 11
Lo Low (pH 4.5-6) 4.98 13.06 -42.34 3 8 1 96 519.597 11

Analogs

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 7.92 -11.53 2 8 0 94 388.468 8
Lo Low (pH 4.5-6) 2.78 8.18 -34.21 3 8 1 96 389.476 8

Analogs

14532134
14532134
14539752
14539752
14539753
14539753
14741793
14741793
14741794
14741794

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.21 11.19 -9.68 2 8 0 94 478.593 11
Lo Low (pH 4.5-6) 5.21 11.47 -34.01 3 8 1 96 479.601 11

Analogs

14539752
14539752
14539753
14539753
14741793
14741793
14741794
14741794
14741795
14741795

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.21 11.24 -11.63 2 8 0 94 478.593 11
Lo Low (pH 4.5-6) 5.21 11.53 -35.06 3 8 1 96 479.601 11

Analogs

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 8.72 -16.94 2 10 0 112 448.483 9
Lo Low (pH 4.5-6) 1.54 8.99 -42.18 3 10 1 114 449.491 9

Analogs

14532195
14532195
14532196
14532196
14532197
14532197

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 8.9 -17.01 3 9 0 115 480.565 9
Lo Low (pH 4.5-6) 3.65 9.2 -43.18 4 9 1 116 481.573 9

Analogs

14532196
14532196
14532197
14532197
14532194
14532194

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Vendors

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 8.66 -13.65 3 9 0 115 480.565 9
Lo Low (pH 4.5-6) 3.65 8.94 -36.73 4 9 1 116 481.573 9

Analogs

14532197
14532197
14532194
14532194
14532195
14532195

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Vendors

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 9.02 -17.96 3 9 0 115 480.565 9
Lo Low (pH 4.5-6) 3.65 9.31 -46.65 4 9 1 116 481.573 9

Analogs

14532194
14532194
14532195
14532195

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Vendors

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 8.77 -12.89 3 9 0 115 480.565 9
Lo Low (pH 4.5-6) 3.65 9.05 -37.79 4 9 1 116 481.573 9

Analogs

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.50 11.59 -15.86 2 7 0 85 476.499 10
Lo Low (pH 4.5-6) 4.50 11.86 -46.88 3 7 1 87 477.507 10

Analogs

14532250
14532250
14532251
14532251
14532252
14532252

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 4.72 -11.46 3 9 0 115 418.494 8
Lo Low (pH 4.5-6) 2.55 4.99 -34.82 4 9 1 116 419.502 8

Analogs

14532251
14532251
14532252
14532252
14532249
14532249

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 4.47 -11.49 3 9 0 115 418.494 8
Lo Low (pH 4.5-6) 2.55 4.75 -33.01 4 9 1 116 419.502 8

Analogs

14532252
14532252
14532249
14532249

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 4.53 -11.28 3 9 0 115 418.494 8
Lo Low (pH 4.5-6) 2.55 4.81 -34.74 4 9 1 116 419.502 8

Analogs

14532249
14532249

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 4.8 -12.71 3 9 0 115 418.494 8
Lo Low (pH 4.5-6) 2.55 5.07 -39.29 4 9 1 116 419.502 8

Analogs

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.02 8.74 -13.22 2 8 0 98 422.416 7
Lo Low (pH 4.5-6) 3.02 8.99 -40.11 3 8 1 100 423.424 7

Analogs

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 9.44 -13.6 2 8 0 98 423.517 9
Lo Low (pH 4.5-6) 3.23 9.77 -39.22 3 8 1 99 424.525 9

Analogs

14532311
14532311
14532312
14532312
14532313
14532313

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 8.37 -18.74 2 10 0 112 454.531 10
Lo Low (pH 4.5-6) 2.27 8.64 -41.83 3 10 1 114 455.539 10

Analogs

14532312
14532312
14532313
14532313
14532310
14532310

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 8.37 -19.48 2 10 0 112 454.531 10
Lo Low (pH 4.5-6) 2.27 8.64 -42.75 3 10 1 114 455.539 10

Analogs

14532313
14532313
14532310
14532310

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 9.1 -20.54 2 10 0 112 454.531 10
Lo Low (pH 4.5-6) 2.27 9.38 -49.46 3 10 1 114 455.539 10

Analogs

14532310
14532310

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 9.11 -20.49 2 10 0 112 454.531 10
Lo Low (pH 4.5-6) 2.27 9.38 -49.45 3 10 1 114 455.539 10

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.51 12.27 -18.45 2 10 0 115 519.602 10
Lo Low (pH 4.5-6) 4.51 12.55 -50.27 3 10 1 116 520.61 10

Analogs

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 11.99 -11.34 2 8 0 94 478.593 13
Lo Low (pH 4.5-6) 3.97 12.26 -36.44 3 8 1 96 479.601 13

Analogs

14535732
14535732

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 9.06 -10.49 2 8 0 94 424.501 11
Lo Low (pH 4.5-6) 3.18 9.32 -32.48 3 8 1 96 425.509 11

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.21 12.35 -15.6 2 8 0 94 486.572 10
Lo Low (pH 4.5-6) 4.21 12.61 -46.61 3 8 1 96 487.58 10

Analogs

14532415
14532415

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.42 10.3 -15.1 3 8 0 105 464.566 10
Lo Low (pH 4.5-6) 4.42 10.59 -38.63 4 8 1 107 465.574 10

Analogs

14532414
14532414

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.42 10.07 -10.89 3 8 0 105 464.566 10
Lo Low (pH 4.5-6) 4.42 10.35 -32.45 4 8 1 107 465.574 10

Analogs

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.27 11.4 -11.78 2 9 0 104 516.598 13
Lo Low (pH 4.5-6) 4.27 11.65 -38.09 3 9 1 105 517.606 13

Analogs

14532448
14532448

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.58 12.26 -16.61 2 8 0 94 480.609 12
Lo Low (pH 4.5-6) 5.58 12.53 -43.62 3 8 1 96 481.617 12

Analogs

14532447
14532447

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.58 12.27 -16.4 2 8 0 94 480.609 12
Lo Low (pH 4.5-6) 5.58 12.52 -43.45 3 8 1 96 481.617 12

Analogs

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Vendors

And 3 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 11.68 -13.94 2 8 0 98 471.561 9
Lo Low (pH 4.5-6) 3.91 12 -41.97 3 8 1 99 472.569 9

Analogs

14532512
14532512
14532513
14532513
14532514
14532514
14539381
14539381
14539382
14539382

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Vendors

And 4 More

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 9.76 -17.75 2 9 0 104 466.538 10
Lo Low (pH 4.5-6) 3.46 10.05 -44.61 3 9 1 105 467.546 10

Analogs

14532513
14532513
14532514
14532514
14539381
14539381
14539382
14539382
14539383
14539383

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Vendors

And 4 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 9.48 -13.86 2 9 0 104 466.538 10
Lo Low (pH 4.5-6) 3.46 9.76 -36.78 3 9 1 105 467.546 10

Analogs

14532514
14532514
14539381
14539381
14539382
14539382
14539383
14539383
14539384
14539384

Draw Identity 99% 90% 80% 70%

Vendors

And 4 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 9.51 -13.42 2 9 0 104 466.538 10
Lo Low (pH 4.5-6) 3.46 9.8 -36.54 3 9 1 105 467.546 10

Analogs

14539381
14539381
14539382
14539382
14539383
14539383
14539384
14539384
14543778
14543778

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Vendors

And 4 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 9.5 -13.21 2 9 0 104 466.538 10
Lo Low (pH 4.5-6) 3.46 9.78 -35.77 3 9 1 105 467.546 10

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 3 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 6.32 -10.81 2 9 0 108 400.435 9
Lo Low (pH 4.5-6) 2.80 6.6 -32.64 3 9 1 109 401.443 9