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

    Default (Public by ebiochemica) Default Purchasability Report

    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    395681
    395681
    39120411
    39120411
    39120412
    39120412

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    Vendors

    And 22 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) 3.81 2.33 -48.02 0 2 -1 40 219.304 5

    Analogs

    2015169
    2015169

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    Vendors

    And 23 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) 4.30 9.53 -49.34 0 2 -1 40 239.294 4

    Analogs

    3948903
    3948903
    32108022
    32108022
    32108023
    32108023
    32114041
    32114041
    32115582
    32115582

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    Vendors

    And 15 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) 2.47 3.29 -30.92 3 4 1 55 268.377 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 13 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) 3.78 0.68 -46.95 1 3 1 24 327.423 6

    Analogs

    27840490
    27840490
    27840502
    27840502
    34472590
    34472590

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    Vendors

    And 96 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) -1.10 3.37 -53.23 3 3 0 68 179.219 4

    Analogs

    155265
    155265
    507383
    507383
    507384
    507384
    26441573
    26441573
    26441575
    26441575

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    Vendors

    And 8 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) 2.61 6.11 -4.93 0 1 0 17 231.133 0

    Analogs

    2043
    2043
    1675083
    1675083
    5930235
    5930235

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    Vendors

    And 103 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) 3.01 9.21 -38.7 1 3 1 27 291.802 6

    Analogs

    2009481
    2009481

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    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) 0.94 -7.81 -39.31 7 6 1 112 268.337 5

    Analogs

    16090792
    16090792

    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) 1.31 -0.57 -8.8 2 3 0 52 175.187 3

    Analogs

    3649831
    3649831

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    Vendors

    And 6 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) 3.30 -2.1 -44.09 4 6 1 88 349.451 9

    Analogs

    1869694
    1869694
    38879641
    38879641

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    Vendors

    And 95 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) 4.32 9.07 -47.04 1 3 -1 56 272.711 2

    Analogs

    896463
    896463

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    Vendors

    And 70 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) 1.96 2.8 -45.61 4 5 1 75 293.387 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 30 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) 3.23 0.66 -36.02 2 2 1 24 290.814 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 52 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) 1.44 3.11 -13.33 0 4 0 54 273.741 1

    Analogs

    1680039
    1680039

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    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) 0.88 2.63 -18.36 3 4 0 72 212.636 2
    Mid Mid (pH 6-8) 0.82 -2.24 -42.68 2 4 -1 80 211.628 3

    Analogs

    129343
    129343
    1677325
    1677325

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    Vendors

    And 58 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) 1.40 -0.02 -8.39 2 3 0 50 202.637 4

    Analogs

    897317
    897317

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    Vendors

    And 23 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) 1.51 -0.7 -9.8 3 5 0 82 245.662 6

    Analogs

    2034754
    2034754

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 32 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) 4.00 2.74 -36.63 1 2 1 13 304.841 6

    Analogs

    57255
    57255

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    Vendors

    And 86 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) 1.22 -2.11 -15.19 4 6 0 109 338.772 2

    Analogs

    2277
    2277

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    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) 2.82 5.31 -25.5 1 3 0 46 261.708 1
    Mid Mid (pH 6-8) 2.82 4.59 -35.95 2 3 1 44 262.716 1
    Mid Mid (pH 6-8) 2.82 4.93 -38.75 0 3 -1 45 260.7 1

    Analogs

    2266
    2266

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    Vendors

    And 34 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) 3.75 -0.95 -27.65 2 2 1 25 263.364 3

    Analogs

    2020086
    2020086
    33640544
    33640544
    33640545
    33640545

    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) 0.75 1.72 -44.49 5 4 1 87 220.296 4

    Analogs

    40163040
    40163040

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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) 3.56 2.68 -13.14 0 5 0 48 333.428 5

    Analogs

    2005072
    2005072

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 63 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) 3.40 9.22 -45.51 0 3 -1 49 288.15 4

    Analogs

    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) 3.83 -0.55 -15.47 0 4 0 44 306.365 4

    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) 3.36 3.73 -30.2 1 3 1 22 264.389 9

    Analogs

    36387477
    36387477
    37246129
    37246129

    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) 3.40 1.37 -35.73 1 3 1 24 313.808 0

    Analogs

    5818908
    5818908
    5818915
    5818915
    33823811
    33823811
    33823812
    33823812

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 75 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) 2.79 2.94 -38.56 5 3 1 63 278.203 4

    Analogs

    3830577
    3830577

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 21 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) 3.89 1 -50.26 0 2 -1 40 277.771 2

    Analogs

    13209328
    13209328

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    Vendors

    And 50 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) 3.20 9.99 -10.91 0 4 0 44 292.766 5
    Mid Mid (pH 6-8) 3.20 9.94 -42.63 1 4 1 45 293.774 5

    Analogs

    2003217
    2003217
    12356108
    12356108

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    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) 4.95 1.2 -35.45 1 2 1 13 342.89 4

    Analogs

    2018980
    2018980
    2018981
    2018981
    2018982
    2018982

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 23 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) 3.37 7.09 -38.35 2 2 1 25 256.797 5

    Analogs

    1576406
    1576406

    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) 2.57 4.69 -10.97 3 6 0 92 336.775 7

    Analogs

    608119
    608119

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    Vendors

    And 13 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) 0.99 2.37 -16.98 3 6 0 93 345.852 3

    Analogs

    601258
    601258
    4214026
    4214026
    5934238
    5934238
    5934436
    5934436
    13729532
    13729532

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    Vendors

    And 53 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) 5.09 12.93 -35.74 1 2 1 14 330.879 6

    Analogs

    2019902
    2019902

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 17 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) 3.60 -2.27 -39.44 3 3 1 46 293.214 6

    Analogs

    1999569
    1999569

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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) 4.10 -0.46 -7.07 1 2 0 33 258.704 2

    Analogs

    1576350
    1576350

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    Vendors

    And 60 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) 2.21 3.93 -35.15 3 2 1 37 214.716 4
    Hi High (pH 8-9.5) 2.21 2.64 -3.68 2 2 0 32 213.708 4

    Analogs

    1280591
    1280591
    3941591
    3941591
    5223924
    5223924
    5510156
    5510156
    14709642
    14709642

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 13 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) 0.85 6.37 -52.7 2 5 1 60 330.404 2
    Hi High (pH 8-9.5) 0.85 4.19 -10.93 1 5 0 59 329.396 2

    Analogs

    2015274
    2015274

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    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) 1.13 -5.15 -41.41 5 4 1 77 226.296 4

    Analogs

    1711106
    1711106

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    Vendors

    And 24 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) 1.12 0.1 -10.02 1 5 0 51 237.255 1

    Analogs

    136138
    136138
    1687606
    1687606
    1722138
    1722138
    14725541
    14725541

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    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) 3.28 1.69 -10.59 2 4 0 67 244.246 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 32 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) 3.71 10.27 -42.21 0 4 -1 70 341.77 4
    Mid Mid (pH 6-8) 3.71 9.02 -10.82 1 4 0 68 342.778 4
    Lo Low (pH 4.5-6) 3.71 9.82 -21.81 1 4 0 68 342.778 4

    Analogs

    5320256
    5320256
    38781564
    38781564
    38781565
    38781565

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    Vendors

    And 17 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) 4.58 3.35 -41.65 1 3 1 33 324.473 4

    Analogs

    405331
    405331
    968262
    968262
    3830611
    3830611
    3830612
    3830612
    8551997
    8551997

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 35 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) 3.55 8.61 -5.61 1 3 0 47 276.376 4

    Analogs

    2019160
    2019160

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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) 1.12 1.83 -10.46 1 4 0 51 216.24 3

    Analogs

    1593059
    1593059
    1842974
    1842974
    4683093
    4683093
    4683094
    4683094
    4683095
    4683095

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    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) 1.92 -0.78 -47.28 1 3 -1 60 185.243 3

    Analogs

    1593099
    1593099
    1733962
    1733962
    1733963
    1733963
    1733964
    1733964
    1733965
    1733965

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 24 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) 2.15 -0.48 -48.83 1 3 -1 60 185.243 3

    Analogs

    155531
    155531
    1717763
    1717763
    6519604
    6519604

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 76 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) 2.47 8.42 -41.55 2 4 1 51 292.399 7
    Hi High (pH 8-9.5) -1.71 -8.22 -18.23 6 11 0 175 424.443 8

    Analogs

    1557199
    1557199
    1559318
    1559318
    1559319
    1559319
    1559321
    1559321
    5368483
    5368483

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 99 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) 0.76 3.69 -9.87 1 4 0 42 261.089 5
    Ref Reference (pH 7) 0.76 3.27 -10.81 1 4 0 42 261.089 5
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