UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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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) 5.10 13.84 -15.41 0 5 0 66 398.43 8

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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) 4.74 13.12 -15.56 0 5 0 66 384.403 8

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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) 5.05 13.92 -14.89 0 5 0 66 398.43 8

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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) 4.31 12.29 -15.24 0 5 0 66 370.376 7

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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) 4.94 13.77 -14.63 0 5 0 66 380.44 8

Analogs

40165596
40165596

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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 4.45 -9.06 0 3 0 39 210.616 1

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2103179
2103179
8992526
8992526
11869277
11869277
12858545
12858545
13109283
13109283

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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) 4.97 3.26 -7.55 0 3 0 39 308.377 3

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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) 5.29 14.6 -18.5 0 6 0 83 412.413 8

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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) 4.93 13.89 -18.64 0 6 0 83 398.386 8

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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) 4.55 12.96 -18.85 0 6 0 83 384.359 7

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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) 4.57 13.85 -20.98 0 6 0 83 398.386 8

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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) 4.58 12.97 -17.04 0 6 0 83 384.359 7

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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) 4.16 9.5 -19.8 1 4 0 59 319.36 3

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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) 3.62 13.17 -47.36 1 8 0 106 498.535 5
Hi High (pH 8-9.5) 3.62 10.92 -58.48 0 8 -1 105 497.527 5
Mid Mid (pH 6-8) 3.62 10.29 -19.22 1 8 0 102 498.535 5

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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) 4.08 12.58 -38.36 1 6 0 80 474.944 3
Hi High (pH 8-9.5) 4.08 10.29 -48.55 0 6 -1 79 473.936 3
Mid Mid (pH 6-8) 4.08 9.81 -17.47 1 6 0 76 474.944 3

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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) 4.18 13.69 -119.02 2 6 2 61 436.552 3
Hi High (pH 8-9.5) 4.18 11.75 -46.4 1 6 1 60 435.544 3
Hi High (pH 8-9.5) 4.18 11.26 -43.63 1 6 1 60 435.544 3

Analogs

20761495
20761495

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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) 3.69 13.11 -127.58 2 6 2 61 447.579 3
Hi High (pH 8-9.5) 3.69 11.12 -51.28 1 6 1 60 446.571 3
Hi High (pH 8-9.5) 3.69 10.59 -44.86 1 6 1 60 446.571 3

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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) 4.37 13.58 -131.39 2 7 2 67 492.616 5
Hi High (pH 8-9.5) 4.37 11.03 -47.88 1 7 1 66 491.608 5
Hi High (pH 8-9.5) 4.37 11.59 -54.03 1 7 1 66 491.608 5

Analogs

20762718
20762718

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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) 4.19 13.49 -130.43 2 7 2 67 492.616 5
Hi High (pH 8-9.5) 4.19 11.55 -53.41 1 7 1 66 491.608 5
Hi High (pH 8-9.5) 4.19 11.06 -47.29 1 7 1 66 491.608 5

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43746981
43746981

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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) 5.08 14.63 -115.23 2 6 2 58 462.59 4
Hi High (pH 8-9.5) 5.08 12.66 -49.09 1 6 1 56 461.582 4
Hi High (pH 8-9.5) 5.08 12.09 -43.81 1 6 1 56 461.582 4

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43746965
43746965

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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) 5.09 14.15 -114.72 2 7 2 67 492.616 5
Hi High (pH 8-9.5) 5.09 12.2 -48.08 1 7 1 66 491.608 5
Hi High (pH 8-9.5) 5.09 11.69 -43.39 1 7 1 66 491.608 5

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43746999
43746999

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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) 5.09 14.16 -115.6 2 7 2 67 492.616 5
Hi High (pH 8-9.5) 5.09 12.22 -48.88 1 7 1 66 491.608 5
Hi High (pH 8-9.5) 5.09 11.7 -44.03 1 7 1 66 491.608 5

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36569769
36569769
43746970
43746970

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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) 4.91 13.49 -130.08 2 6 2 58 462.59 4
Hi High (pH 8-9.5) 4.91 11.55 -54.92 1 6 1 56 461.582 4
Hi High (pH 8-9.5) 4.91 11.04 -48.14 1 6 1 56 461.582 4

Analogs

43746996
43746996

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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) 5.08 14.15 -127.5 2 6 2 58 476.617 4
Hi High (pH 8-9.5) 5.08 12.21 -53.24 1 6 1 56 475.609 4
Hi High (pH 8-9.5) 5.08 11.7 -48.01 1 6 1 56 475.609 4

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43746997
43746997

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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) 4.86 13.57 -128.57 2 6 2 58 462.59 4
Hi High (pH 8-9.5) 4.86 11.63 -54.34 1 6 1 56 461.582 4
Hi High (pH 8-9.5) 4.86 11.13 -48.49 1 6 1 56 461.582 4

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43747006
43747006

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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) 5.07 14.75 -127.47 2 5 2 48 446.591 3
Hi High (pH 8-9.5) 5.07 12.81 -52.48 1 5 1 47 445.583 3
Hi High (pH 8-9.5) 5.07 12.3 -46.68 1 5 1 47 445.583 3

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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) 3.86 8.69 -29.21 1 7 0 89 370.405 8
Hi High (pH 8-9.5) 3.86 5.34 -12.58 1 7 0 85 370.405 8
Mid Mid (pH 6-8) 3.86 8.07 -49.08 2 7 1 86 371.413 8

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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) 2.40 7.7 -39.99 0 6 -1 99 269.236 4
Lo Low (pH 4.5-6) 2.40 7.18 -43.54 2 6 1 97 271.252 4
Lo Low (pH 4.5-6) 2.40 6.84 -8.96 1 6 0 96 270.244 4

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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 7.14 -61.29 2 5 1 64 356.373 3
Hi High (pH 8-9.5) 3.46 4.69 -45.34 0 5 -1 66 354.357 3
Hi High (pH 8-9.5) 3.46 4.2 -16.8 1 5 0 63 355.365 3

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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) 3.68 7.79 -57.24 2 5 1 64 370.4 3
Hi High (pH 8-9.5) 3.68 4.86 -15.36 1 5 0 63 369.392 3
Mid Mid (pH 6-8) 3.68 8.24 -38.41 1 5 0 67 369.392 3

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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) 3.73 7.75 -57.77 2 5 1 64 370.4 3
Hi High (pH 8-9.5) 3.73 5.28 -41.53 0 5 -1 66 368.384 3
Hi High (pH 8-9.5) 3.73 4.81 -13.27 1 5 0 63 369.392 3

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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) 4.48 7.38 -52.13 2 6 1 73 436.406 5
Hi High (pH 8-9.5) 4.48 4.91 -39.76 0 6 -1 75 434.39 5
Mid Mid (pH 6-8) 4.48 4.44 -12.68 1 6 0 72 435.398 5

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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) 3.57 7.1 -57.16 2 6 1 73 382.436 4
Hi High (pH 8-9.5) 3.57 4.17 -15.57 1 6 0 72 381.428 4
Mid Mid (pH 6-8) 3.57 7.55 -39.02 1 6 0 76 381.428 4

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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) 4.47 7.97 -51.02 2 5 1 64 406.38 4
Hi High (pH 8-9.5) 4.47 5.5 -36.25 0 5 -1 66 404.364 4
Mid Mid (pH 6-8) 4.47 5.04 -10.34 1 5 0 63 405.372 4

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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) 3.51 7.14 -60.03 2 5 1 64 356.373 3
Hi High (pH 8-9.5) 3.51 4.2 -14.15 1 5 0 63 355.365 3
Hi High (pH 8-9.5) 3.51 4.69 -40.59 0 5 -1 66 354.357 3

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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) 4.53 7.32 -52.44 2 6 1 73 436.406 5
Hi High (pH 8-9.5) 4.53 4.85 -36.56 0 6 -1 75 434.39 5
Mid Mid (pH 6-8) 4.53 4.38 -11.04 1 6 0 72 435.398 5

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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) 4.24 8.2 -57.13 2 5 1 64 386.855 3
Hi High (pH 8-9.5) 4.24 5.73 -41.31 0 5 -1 66 384.839 3
Hi High (pH 8-9.5) 4.24 5.26 -12.85 1 5 0 63 385.847 3

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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) 3.40 6.39 -59.49 2 6 1 73 368.409 4
Hi High (pH 8-9.5) 3.40 3.93 -42.16 0 6 -1 75 366.393 4
Hi High (pH 8-9.5) 3.40 3.45 -14.9 1 6 0 72 367.401 4

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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) 3.62 7 -58.25 2 6 1 73 382.436 4
Hi High (pH 8-9.5) 3.62 4.06 -14.66 1 6 0 72 381.428 4
Mid Mid (pH 6-8) 3.62 7.46 -38.6 1 6 0 76 381.428 4

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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) 4.02 7.59 -59.24 2 5 1 64 372.828 3
Hi High (pH 8-9.5) 4.02 5.14 -40.29 0 5 -1 66 370.812 3
Hi High (pH 8-9.5) 4.02 4.65 -13.71 1 5 0 63 371.82 3

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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) 2.99 6.32 -62.36 2 7 1 83 398.435 5
Hi High (pH 8-9.5) 2.99 3.87 -43.3 0 7 -1 84 396.419 5
Hi High (pH 8-9.5) 2.99 3.38 -16.86 1 7 0 81 397.427 5

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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) 3.34 7.07 -58.64 2 5 1 64 338.383 3
Hi High (pH 8-9.5) 3.34 4.14 -14.1 1 5 0 63 337.375 3
Hi High (pH 8-9.5) 3.34 4.62 -43.15 0 5 -1 66 336.367 3

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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) -1.14 4.72 -23.75 1 5 0 63 336.391 3
Mid Mid (pH 6-8) -1.14 8.09 -57.47 2 5 1 64 337.399 3

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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) 4.89 9.03 -55.89 2 7 1 77 473.549 6
Hi High (pH 8-9.5) 4.89 7.5 -48.9 0 7 -1 78 471.533 6
Mid Mid (pH 6-8) 4.89 9.82 -39.3 1 7 0 79 472.541 6

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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) 3.07 11.33 -54.26 1 5 1 51 378.496 5
Mid Mid (pH 6-8) 3.07 11.24 -49.52 1 5 1 51 378.496 5
Mid Mid (pH 6-8) 3.07 8.91 -11.94 0 5 0 50 377.488 5

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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) 2.67 12.01 -55.03 1 5 1 51 390.507 5
Mid Mid (pH 6-8) 2.67 12.03 -51.69 1 5 1 51 390.507 5
Mid Mid (pH 6-8) 2.67 9.7 -12.55 0 5 0 50 389.499 5

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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) 2.49 7.94 -65.06 2 6 1 71 380.468 5
Mid Mid (pH 6-8) 2.49 7.86 -62.24 2 6 1 71 380.468 5
Mid Mid (pH 6-8) 2.49 5.54 -17.32 1 6 0 70 379.46 5

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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) 2.59 6.9 -39.3 2 5 0 68 340.423 5
Hi High (pH 8-9.5) 2.59 4.55 -58.32 1 5 -1 67 339.415 5
Hi High (pH 8-9.5) 2.59 5.34 -126.47 0 5 -2 70 338.407 5

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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) 2.96 7.7 -39.48 2 5 0 68 354.45 6
Hi High (pH 8-9.5) 2.96 5.36 -58.39 1 5 -1 67 353.442 6
Hi High (pH 8-9.5) 2.96 6.15 -126.93 0 5 -2 70 352.434 6

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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 7.02 -40.47 2 6 0 77 384.476 7
Hi High (pH 8-9.5) 3.02 4.68 -59.17 1 6 -1 76 383.468 7
Hi High (pH 8-9.5) 3.02 5.47 -127.08 0 6 -2 79 382.46 7

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = princetonnp
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.short_name LIKE 'princetonnp' AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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