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  • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    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) 5.79 13.94 -59.04 3 5 1 78 518.077 9

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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) 0.13 4.89 -11.19 1 6 0 84 219.628 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) 0.13 4.3 -12.26 1 6 0 84 219.628 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) 3.53 10 -42.36 2 2 1 29 311.836 0

    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) 2.42 7.89 -53.46 2 5 1 51 321.404 3
    Lo Low (pH 4.5-6) 2.42 8.32 -91.18 3 5 2 53 322.412 3

    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) 3.83 -0.73 -49.96 4 7 1 92 422.505 9
    Hi High (pH 8-9.5) 3.46 -0.17 -87.78 3 7 0 98 421.497 9
    Hi High (pH 8-9.5) 3.83 -0.17 -87.78 3 7 0 94 421.497 9

    Analogs

    3833880
    3833880
    8830650
    8830650
    8830651
    8830651
    11616637
    11616637
    35107904
    35107904

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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) 2.11 8.5 -58.63 2 9 -1 144 480.538 10

    Analogs

    35107904
    35107904
    39293193
    39293193
    1535101
    1535101

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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) 2.11 -4.38 -62.73 2 9 -1 144 480.538 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) 2.69 7.67 -48.85 2 9 1 110 498.647 10
    Hi High (pH 8-9.5) 2.69 6.65 -22.44 1 9 0 109 497.639 10

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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) 2.51 7.61 -53.6 3 5 1 66 333.415 3
    Hi High (pH 8-9.5) 2.65 6.88 -92.85 7 7 2 113 438.963 4
    Hi High (pH 8-9.5) 2.51 6.24 -14.79 2 5 0 61 332.407 3

    Analogs

    43190979
    43190979

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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 12.75 -36.66 1 1 1 4 278.419 3

    Analogs

    3794622
    3794622

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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) -0.49 8.73 -70.79 1 6 -1 86 359.377 2
    Mid Mid (pH 6-8) -2.50 6.08 -32.34 2 6 0 89 360.385 1

    Analogs

    603195
    603195

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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) -0.49 8.73 -70.73 1 6 -1 86 359.377 2
    Mid Mid (pH 6-8) -2.50 6.06 -33.01 2 6 0 89 360.385 1

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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) 1.99 5.42 -40.52 3 3 1 40 231.319 1

    Analogs

    32108748
    32108748
    39298020
    39298020
    39298021
    39298021

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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) 4.03 8.89 -40.02 2 2 1 26 256.369 6

    Analogs

    6130066
    6130066
    7997897
    7997897

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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) 5.25 13.58 -41.74 1 1 1 4 288.414 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) -1.15 0.33 -14.7 2 4 0 59 113.12 0

    Analogs

    5192442
    5192442
    5192451
    5192451
    1532548
    1532548

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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) 0.76 3.51 -56.36 2 5 -1 81 243.308 5
    Lo Low (pH 4.5-6) 0.76 1.53 -16.74 3 5 0 78 244.316 5

    Analogs

    12466871
    12466871
    12466998
    12466998
    12503096
    12503096
    16036549
    16036549
    44135881
    44135881

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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) 1.77 -0.01 -37.55 2 4 1 50 290.383 5

    Analogs

    12466871
    12466871
    12466998
    12466998
    12503096
    12503096
    16036549
    16036549
    31554738
    31554738

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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) 1.77 7.08 -39.97 2 4 1 51 290.383 5

    Analogs

    1730667
    1730667
    1730669
    1730669
    5836947
    5836947
    5836963
    5836963
    32240796
    32240796

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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) -2.87 -0.19 -33.17 4 4 0 88 179.241 6
    Hi High (pH 8-9.5) -2.87 -0.48 -41.89 3 4 -1 86 178.233 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) 2.09 3.81 -44.37 4 3 1 56 212.342 3
    Lo Low (pH 4.5-6) 2.09 4.24 -88 5 3 2 57 213.35 3

    Analogs

    4831675
    4831675
    4831676
    4831676

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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) -4.57 4.42 -54.16 1 4 0 60 161.201 4

    Analogs

    518912
    518912
    34363810
    34363810

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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) 1.67 4.38 -38.98 2 2 1 25 166.244 3
    Hi High (pH 8-9.5) 1.67 1.91 -3.67 1 2 0 23 165.236 3
    Hi High (pH 8-9.5) 1.04 5.92 -18.76 5 10 0 153 504.501 5

    Analogs

    5843989
    5843989
    32189073
    32189073
    44214867
    44214867
    44214870
    44214870

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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) -1.58 1.17 -42.69 5 5 0 104 220.228 3
    Hi High (pH 8-9.5) -1.58 0.89 -49.26 4 5 -1 102 219.22 3

    Analogs

    5843989
    5843989
    32189073
    32189073
    44214867
    44214867
    44214870
    44214870

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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) -1.58 1.2 -34.71 5 5 0 104 220.228 3
    Hi High (pH 8-9.5) -1.58 0.89 -50.08 4 5 -1 102 219.22 3

    Analogs

    3881666
    3881666
    3953891
    3953891
    3977785
    3977785
    4398249
    4398249
    4535881
    4535881

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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) 3.22 8.17 -43.2 3 5 1 67 355.458 2
    Hi High (pH 8-9.5) 3.22 6.05 -10.14 2 5 0 66 354.45 2

    Analogs

    3651083
    3651083
    3651084
    3651084
    4262569
    4262569
    4262570
    4262570
    5811656
    5811656

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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) 2.75 7.38 -51.89 2 5 1 54 344.431 6
    Mid Mid (pH 6-8) 2.75 6.21 -11.34 1 5 0 49 343.423 6

    Analogs

    3651083
    3651083
    3651084
    3651084
    4262569
    4262569
    4262570
    4262570
    5811656
    5811656

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    And 62 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) 2.75 7.39 -51.14 2 5 1 54 344.431 6
    Mid Mid (pH 6-8) 2.75 6.11 -10.65 1 5 0 49 343.423 6

    Analogs

    403588
    403588

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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) 0.43 -0.78 -43.1 4 3 1 57 168.216 3
    Hi High (pH 8-9.5) 0.43 -2.29 -5.42 3 3 0 52 167.208 3

    Analogs

    733
    733

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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) 0.43 -0.72 -42.44 4 3 1 57 168.216 3
    Hi High (pH 8-9.5) 0.43 -2.17 -5.01 3 3 0 52 167.208 3

    Analogs

    5223924
    5223924
    5510156
    5510156
    181
    181

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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) 0.85 6.37 -62.26 2 5 1 60 330.404 2
    Hi High (pH 8-9.5) 0.85 4.14 -13.78 1 5 0 59 329.396 2

    Analogs

    5273809
    5273809
    8681449
    8681449
    3860720
    3860720

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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) -1.57 -6.88 -52.19 3 5 -1 100 173.144 1

    Analogs

    9214237
    9214237
    5273809
    5273809
    3860720
    3860720

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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) -1.57 -3.89 -46.33 3 5 -1 101 173.144 1

    Analogs

    5273809
    5273809
    8681449
    8681449
    9214237
    9214237

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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) -1.57 -7.38 -48.13 3 5 -1 100 173.144 1

    Analogs

    5273809
    5273809
    8681449
    8681449
    9214237
    9214237

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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) -1.57 -3.21 -47.57 3 5 -1 101 173.144 1

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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 -4.36 -57.03 3 4 0 85 125.149 2

    Analogs

    4475353
    4475353
    12503133
    12503133
    31356637
    31356637

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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) 2.15 10.74 -59.16 0 3 -1 57 355.41 4

    Analogs

    12503133
    12503133
    31356637
    31356637
    3786192
    3786192

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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) 2.15 10.74 -65.87 0 3 -1 57 355.41 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) 2.84 6.53 -28.58 5 4 1 79 249.725 2
    Mid Mid (pH 6-8) 2.84 6.08 -5.33 4 4 0 78 248.717 2

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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) 3.50 16.04 -72.01 2 6 1 64 514.685 8

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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 10.77 -65.17 1 6 -1 92 446.882 7
    Hi High (pH 8-9.5) 1.93 11.38 -50.45 3 7 1 74 352.466 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) 1.00 3.61 -43.26 0 2 -1 40 87.098 2

    Analogs

    34676244
    34676244

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 79 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) -1.71 -5.16 -42.02 3 4 0 72 102.093 0
    Ref Reference (pH 7) -1.71 -6.26 -6.38 3 4 0 68 102.093 0
    Hi High (pH 8-9.5) -1.71 -5.45 -42.88 2 4 -1 71 101.085 0

    Analogs

    525860
    525860
    1088597
    1088597
    2034193
    2034193

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 5 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) -2.93 7.41 -35.57 1 5 1 59 318.393 5

    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) 1.72 7.59 -35 3 7 1 80 395.483 5
    Mid Mid (pH 6-8) 1.72 7.1 -11.67 2 7 0 79 394.475 5

    Analogs

    1530690
    1530690
    1849472
    1849472
    8602413
    8602413
    13319948
    13319948
    44699472
    44699472

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 43 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) 6.06 15.81 -35.9 1 2 1 14 372.532 8
    Hi High (pH 8-9.5) 6.06 13.36 -4.97 0 2 0 12 371.524 8

    Analogs

    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) 0.52 3.37 -9.16 1 7 0 97 211.177 5

    Analogs

    643055
    643055
    896740
    896740
    3872945
    3872945
    3944782
    3944782
    596881
    596881

    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) 5.72 14.15 -35.65 1 3 1 28 417.143 6
    Mid Mid (pH 6-8) 5.72 13.63 -6.4 0 3 0 27 416.135 6

    Analogs

    3944782
    3944782
    596881
    596881

    Draw Identity 99% 90% 80% 70%

    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) 5.72 13.6 -35.01 1 3 1 28 417.143 6
    Mid Mid (pH 6-8) 5.72 13.09 -6.46 0 3 0 27 416.135 6

    Parameters Provided:

    page.format = basic
    page.num = 1
    catalog.name = selleck
    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 'selleck' 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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