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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) 0.16 -4.56 -19.92 4 7 0 118 331.297 2

    Analogs

    3977973
    3977973
    3977974
    3977974
    3977975
    3977975
    4213048
    4213048
    36371046
    36371046

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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) 2.38 6.56 -8.95 2 4 0 75 376.468 1

    Analogs

    3977973
    3977973
    3977974
    3977974
    3977975
    3977975
    4213048
    4213048
    36371046
    36371046

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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) 2.38 0.33 -8.58 2 4 0 74 376.468 1

    Analogs

    3977973
    3977973
    3977974
    3977974
    3977975
    3977975
    4213048
    4213048
    36371046
    36371046

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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) 2.38 0.55 -10.12 2 4 0 74 376.468 1

    Analogs

    3977973
    3977973
    3977974
    3977974
    3977975
    3977975
    4213048
    4213048
    36371046
    36371046

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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) 2.38 0.45 -10.81 2 4 0 74 376.468 1

    Analogs

    3977887
    3977887
    3977888
    3977888
    3977889
    3977889
    3977890
    3977890
    4097286
    4097286

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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) 3.19 6.66 -13.25 2 6 0 93 430.541 4

    Analogs

    3830334
    3830334

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    And 18 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) 3.19 6.66 -12.84 2 6 0 93 430.541 4

    Analogs

    8789850
    8789850
    11592769
    11592769
    11592770
    11592770
    22049777
    22049777
    26255038
    26255038

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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) 4.49 12.76 -16.85 1 7 0 107 521.05 8

    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) 2.77 7.29 -15.02 2 6 0 101 416.514 4
    Ref Reference (pH 7) 2.77 7.48 -15.13 2 6 0 101 416.514 4

    Analogs

    Draw Identity 99% 90% 80% 70%

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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) 3.61 5.33 -11.94 2 5 0 78 381.379 4

    Analogs

    16952920
    16952920

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    And 56 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) -1.09 -2.17 -16.53 3 6 0 90 229.261 2

    Analogs

    5065158
    5065158
    346
    346

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    And 18 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) -0.85 11.13 -35.57 1 4 1 47 318.437 5

    Analogs

    5065158
    5065158
    346
    346

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    Vendors

    And 17 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) -0.85 11.14 -35.8 1 4 1 47 318.437 5

    Analogs

    896958
    896958
    896968
    896968
    968301
    968301
    5065156
    5065156
    5065158
    5065158

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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 10.75 -34.79 1 4 1 47 318.437 5

    Analogs

    5065158
    5065158
    346
    346

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    And 14 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) -0.85 10.75 -34.86 1 4 1 47 318.437 5

    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) 2.07 3.59 -15.94 3 5 0 95 374.477 2

    Analogs

    20253
    20253

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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) 1.22 -2.05 -19.26 4 6 0 109 338.772 2

    Analogs

    57255
    57255

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

    Analogs

    3984042
    3984042
    4245612
    4245612
    4245664
    4245664
    4521332
    4521332
    26504552
    26504552

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    And 47 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) 4.76 11.51 -13.61 1 5 0 73 418.574 7

    Analogs

    8585156
    8585156
    3977840
    3977840

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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 5.98 -18.64 2 6 0 93 434.504 2

    Analogs

    1530855
    1530855

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    And 36 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) 0.76 2.19 -10.22 3 4 0 72 232.283 2

    Analogs

    1530856
    1530856

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    And 35 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) 0.76 2.15 -10.17 3 4 0 72 232.283 2

    Analogs

    3984042
    3984042
    4245612
    4245612
    4245664
    4245664
    4521332
    4521332
    26504552
    26504552

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    And 51 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) 4.35 11.28 -12.84 1 5 0 73 404.547 7

    Analogs

    3978012
    3978012
    3978013
    3978013
    3978014
    3978014
    3978043
    3978043
    3978044
    3978044

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    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) 2.06 2.36 -15.42 3 5 0 95 392.467 2

    Analogs

    3978012
    3978012
    3978013
    3978013
    3978014
    3978014
    3978043
    3978043
    3978044
    3978044

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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) 2.06 2.65 -15.96 3 5 0 95 392.467 2

    Analogs

    3978012
    3978012
    3978013
    3978013
    3978014
    3978014
    3978043
    3978043
    3978044
    3978044

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    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) 2.06 2.99 -13.9 3 5 0 95 392.467 2

    Analogs

    3978012
    3978012
    3978013
    3978013
    3978014
    3978014
    3978043
    3978043
    3978044
    3978044

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    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) 2.06 3.21 -15.6 3 5 0 95 392.467 2

    Analogs

    3865
    3865
    5959
    5959

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    And 92 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) 3.68 9.08 -5.9 0 3 0 30 321.829 4

    Analogs

    897222
    897222

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    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) 1.95 -0.44 -18.45 4 7 0 118 421.422 4
    Mid Mid (pH 6-8) 1.95 -0.92 -44.66 3 7 -1 120 420.414 4

    Analogs

    601301
    601301

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    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) 1.95 -0.45 -18.74 4 7 0 118 421.422 4
    Mid Mid (pH 6-8) 1.95 -0.86 -44.53 3 7 -1 120 420.414 4

    Analogs

    3978023
    3978023
    3978024
    3978024
    3978025
    3978025
    3978026
    3978026
    4535875
    4535875

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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) 2.14 8.57 -14.86 1 6 0 98 402.487 4

    Analogs

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    And 49 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) 2.84 6.95 -10.42 2 3 0 48 236.274 0
    Ref Reference (pH 7) 2.60 5.58 -25.52 3 3 1 51 237.282 1
    Mid Mid (pH 6-8) 2.60 5.16 -7.11 2 3 0 49 236.274 1

    Analogs

    1408
    1408

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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) 2.40 9.08 -7.82 0 4 0 44 244.294 5
    Lo Low (pH 4.5-6) 2.40 9.59 -36.42 1 4 1 45 245.302 5

    Analogs

    17364045
    17364045

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    And 41 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) 2.40 9.09 -7.82 0 4 0 44 244.294 5
    Lo Low (pH 4.5-6) 2.40 9.59 -36.35 1 4 1 45 245.302 5

    Analogs

    3830314
    3830314

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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) -4.01 2.07 -34.67 2 4 1 52 161.225 4

    Analogs

    83
    83

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    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) -4.01 2.05 -34.72 2 4 1 52 161.225 4

    Analogs

    512
    512

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    And 19 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) 2.16 5.69 -11.34 1 4 0 45 276.38 3
    Mid Mid (pH 6-8) 2.12 7.04 -48.98 1 4 1 43 277.388 3

    Analogs

    512
    512

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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) 2.16 5.69 -11.35 1 4 0 45 276.38 3
    Mid Mid (pH 6-8) 2.12 6.82 -50.27 1 4 1 43 277.388 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) -3.56 6.42 -34.1 0 3 1 26 146.21 4

    Analogs

    3978012
    3978012
    3978013
    3978013
    3978014
    3978014
    3978043
    3978043
    3978044
    3978044

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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) 2.06 3.98 -16.38 3 5 0 95 392.467 2

    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) 3.25 7.17 -7.37 1 2 0 37 288.431 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) 3.25 6.95 -7.78 1 2 0 37 288.431 0

    Analogs

    3881780
    3881780
    3881781
    3881781
    3881782
    3881782
    3881783
    3881783
    3881794
    3881794

    Draw Identity 99% 90% 80% 70%


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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) 3.25 7.29 -7.1 1 2 0 37 288.431 0

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 3.25 6.96 -7.22 1 2 0 37 288.431 0

    Analogs

    22059332
    22059332
    1661187
    1661187

    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) -0.37 -5.85 -13.27 5 9 0 140 285.235 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 38 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) 0.72 -0.51 -18.88 2 5 0 86 212.23 2

    Analogs

    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) 2.18 4.66 -7.46 2 4 0 58 252.273 2
    Mid Mid (pH 6-8) 2.36 2.13 -45.39 1 4 -1 65 251.265 2

    Analogs

    39291087
    39291087
    39291089
    39291089

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 47 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) 2.28 6.1 -16.38 0 4 0 53 216.192 1

    Analogs

    32131087
    32131087
    32131089
    32131089
    3995781
    3995781
    4292831
    4292831

    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) 4.14 7.55 -7.08 1 4 0 35 326.831 1
    Hi High (pH 8-9.5) 4.14 8.88 -23.43 2 4 1 36 327.839 1
    Mid Mid (pH 6-8) 4.14 11.23 -89.99 3 4 2 38 328.847 1

    Analogs

    4098919
    4098919
    4098920
    4098920
    4475321
    4475321
    11682059
    11682059
    16969582
    16969582

    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) 1.32 4.95 -16.81 1 8 0 93 414.41 4

    Parameters Provided:

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