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  • Cart Contents | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF

    Default (Public by Genedoc) Default Purchasability Report

    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

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    Vendors

    And 6 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) 3.66 -2.81 -14.58 2 9 0 103 480.546 8

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 7 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) 2.70 9.18 -15.22 1 9 0 108 395.419 5
    Mid Mid (pH 6-8) 2.70 10.56 -40.11 2 9 1 110 396.427 5

    Analogs

    36728546
    36728546
    36728547
    36728547
    36728548
    36728548
    28966907
    28966907
    28966911
    28966911

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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) -0.23 -5.69 -16.68 6 9 0 157 392.36 2

    Analogs

    34960931
    34960931
    34960935
    34960935
    36728545
    36728545
    36728546
    36728546
    36728547
    36728547

    Draw Identity 99% 90% 80% 70%

    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) -0.23 -4.64 -19.03 6 9 0 157 392.36 2

    Analogs

    34480190
    34480190
    39240381
    39240381

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    Vendors

    And 138 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) 1.89 3.72 -12.48 1 3 0 50 176.171 0

    Analogs

    5999024
    5999024
    5999025
    5999025
    14806846
    14806846
    14806852
    14806852
    33814999
    33814999

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    Vendors

    And 7 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) 2.72 0.03 -10.9 1 5 0 65 300.31 3

    Analogs

    4349687
    4349687
    13424740
    13424740
    13424741
    13424741
    31166757
    31166757
    33832905
    33832905

    Draw Identity 99% 90% 80% 70%

    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) -0.33 -14.78 -19.52 8 12 0 210 464.379 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 1.78 -1.52 -14.9 4 6 0 111 286.239 1

    Analogs

    4100777
    4100777
    4164657
    4164657
    4252716
    4252716
    4974443
    4974443
    5128035
    5128035

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 19 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) 3.29 2.41 -11.34 2 5 0 75 300.31 5

    Analogs

    13516818
    13516818
    14640373
    14640373
    15274483
    15274483
    39023199
    39023199
    4252698
    4252698

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 39 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) 2.28 0.03 -14.86 4 5 0 98 272.256 3
    Hi High (pH 8-9.5) 2.28 0.8 -48.48 3 5 -1 101 271.248 3

    Analogs

    6484605
    6484605
    14437110
    14437110

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 22 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) 1.99 -0.46 -15.14 4 7 0 120 316.265 2
    Mid Mid (pH 6-8) 1.53 0.12 -47.83 3 7 -1 123 315.257 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 1 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 7.23 -10.23 1 3 0 50 270.259 1

    Analogs

    4096001
    4096001
    4096945
    4096945
    4096947
    4096947
    6484598
    6484598
    6484599
    6484599

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 101 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) 0.71 -3.79 -12.73 5 7 0 127 304.254 1
    Ref Reference (pH 7) 0.71 -4.14 -13.36 5 7 0 127 304.254 1
    Hi High (pH 8-9.5) 0.71 -3.14 -52.96 4 7 -1 130 303.246 1

    Analogs

    186642
    186642
    186648
    186648
    186639
    186639

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 19 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) 2.16 -1.87 -40.07 3 4 0 72 326.783 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 12 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) 2.65 0.11 -6.82 1 4 0 55 276.119 5

    Analogs

    34476708
    34476708
    34560483
    34560483
    408199
    408199

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 29 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) 2.11 6.14 -8.58 1 6 0 73 256.265 1

    Analogs

    6094003
    6094003
    33986541
    33986541
    34586161
    34586161
    39018748
    39018748

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 55 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) 2.07 1.09 -8.35 0 3 0 36 192.214 3

    Analogs

    1542905
    1542905

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 31 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) 2.43 -7.63 -51.16 5 5 1 92 372.561 8

    Analogs

    11616527
    11616527
    32114179
    32114179
    32226007
    32226007
    32226009
    32226009
    32231193
    32231193

    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) 2.77 4.31 -41.46 4 4 1 66 302.394 7
    Hi High (pH 8-9.5) 2.77 3.61 -6.35 3 4 0 62 301.386 7

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 2 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) 3.58 -5.48 -20.19 2 6 0 82 411.527 7

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 2 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) 2.70 -2.84 -19.2 0 7 0 75 464.522 4

    Analogs

    10518240
    10518240

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 2 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) 3.38 -7.37 -13.24 1 6 0 83 406.529 6
    Hi High (pH 8-9.5) 3.38 -6.79 -45.87 0 6 -1 85 405.521 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 2 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) 4.10 8.37 -19.25 2 5 0 75 410.47 5

    Analogs

    35457511
    35457511
    35457578
    35457578
    35457443
    35457443
    35457451
    35457451

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 1 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) 4.34 13.92 -11.96 0 7 0 79 498.627 6
    Lo Low (pH 4.5-6) 4.34 14.34 -45.14 1 7 1 80 499.635 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 1 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) 2.53 8.27 -18.79 1 7 0 81 431.492 3

    Analogs

    44602606
    44602606
    44602609
    44602609
    45368378
    45368378
    45368381
    45368381
    59222334
    59222334

    Draw Identity 99% 90% 80% 70%

    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) 3.13 7.9 -51.01 0 5 -1 76 297.286 3

    Analogs

    1559232
    1559232
    4096948
    4096948
    4096949
    4096949
    39091
    39091

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 8 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) 2.16 -3.48 -11.56 3 6 0 96 302.282 2

    Analogs

    4104831
    4104831
    4104832
    4104832
    14984262
    14984262
    14984264
    14984264
    34887126
    34887126

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 10 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) 2.19 4.73 -14.43 0 6 0 78 340.331 5

    Analogs

    14984262
    14984262
    14984264
    14984264
    525683
    525683

    Draw Identity 99% 90% 80% 70%

    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) 2.25 4.77 -15.83 0 7 0 88 370.357 6

    Analogs

    43460546
    43460546

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 8 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) 4.13 7.92 -12.3 1 6 0 82 356.374 5
    Hi High (pH 8-9.5) 4.13 8.91 -53.96 0 6 -1 85 355.366 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 100 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) 2.56 2.64 -11.61 2 4 0 71 254.241 1

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 1 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) 2.39 8.57 -55.57 4 6 1 75 359.457 4
    Lo Low (pH 4.5-6) 2.39 9.03 -86.02 5 6 2 76 360.465 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

      None

    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) 3.11 7.36 -48.03 2 5 -1 92 296.302 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

      None

    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) 0.57 2.9 -46.87 2 5 -1 96 257.269 4
    Mid Mid (pH 6-8) 0.57 3.3 -80.32 3 5 0 97 258.277 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 6 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) 3.66 5.82 -14.51 2 9 0 104 480.546 8
    Lo Low (pH 4.5-6) 3.66 6.1 -40.04 3 9 1 105 481.554 8

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.15 9.02 -52.07 0 4 -1 70 265.244 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 18 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) 0.18 1.97 -14.93 1 6 0 68 262.265 3
    Ref Reference (pH 7) 0.18 1.96 -11.12 1 6 0 68 262.265 3
    Lo Low (pH 4.5-6) 0.18 3.25 -60.21 2 6 1 72 263.273 3

    Analogs

    4294771
    4294771
    34359922
    34359922
    39298687
    39298687
    39298688
    39298688
    39298689
    39298689

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 45 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) -1.37 -3.53 -93.28 3 7 0 114 272.282 4

    Analogs

    36467
    36467

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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) 1.45 -10.63 -8.04 4 5 0 81 304.14 3

    Analogs

    376584
    376584
    376585
    376585
    16039551
    16039551
    36627539
    36627539
    36627540
    36627540

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 8 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) 2.06 8.51 -17.53 0 4 0 51 271.316 1

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 19 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) 0.89 7.9 -10.12 0 7 0 65 263.301 1

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 15 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) 0.70 3.09 -7.78 2 5 0 67 276.336 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 11 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) 1.46 -1.86 -14.78 2 6 0 83 271.276 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 0.21 -0.86 -55.27 5 11 -1 186 447.372 4
    Hi High (pH 8-9.5) 0.21 0.13 -105.99 4 11 -2 189 446.364 4

    Analogs

    Draw Identity 99% 90% 80% 70%

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      None

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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) 3.59 10.65 -98.88 0 5 -2 97 308.289 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

      None

    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) 4.13 10.76 -47.5 0 3 -1 57 279.315 2

    Analogs

    34471528
    34471528
    38413756
    38413756

    Draw Identity 99% 90% 80% 70%

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    And 217 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) 3.89 13.15 -49.4 3 8 1 87 494.623 7
    Mid Mid (pH 6-8) 3.89 13.03 -52.36 3 8 1 87 494.623 7
    Mid Mid (pH 6-8) 3.89 10.78 -14.7 2 8 0 86 493.615 7

    Analogs

    Draw Identity 99% 90% 80% 70%

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    And 1 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) 1.93 6.5 -51.11 3 5 1 59 280.355 3
    Lo Low (pH 4.5-6) 1.93 6.95 -81.59 4 5 2 60 281.363 3

    Analogs

    34471528
    34471528
    38413756
    38413756

    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) 3.94 13.76 -49.4 3 8 1 87 508.65 7
    Mid Mid (pH 6-8) 3.94 13.64 -52.4 3 8 1 87 508.65 7
    Mid Mid (pH 6-8) 3.94 11.39 -14.78 2 8 0 86 507.642 7

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 61 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) 3.27 7.86 -49.62 4 9 1 120 438.537 5
    Hi High (pH 8-9.5) 4.44 10.13 -54 3 6 1 75 422.549 6
    Hi High (pH 8-9.5) 3.01 7.81 -31.7 3 9 0 122 437.529 4
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