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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 2.58 0.85 -53.28 1 6 -1 89 343.403 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 2.58 0.85 -75.44 1 6 -1 89 343.403 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) 2.58 1.09 -65.55 1 6 -1 89 343.403 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) 2.58 0.77 -59.59 1 6 -1 89 343.403 4 ↓

    Analogs

    376810
    376810
    376811
    376811

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N2-(4-bromophenyl)-N1,N1-dibutyl-cyclohex-4-ene-1,2-dicarboxamide (1R,2S)-N2-(4-bromophenyl)-N1,N1…

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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) 5.81 11.94 -10.31 1 4 0 49 435.406 9 ↓

    Analogs

    376810
    376810
    376811
    376811

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N2-(4-bromophenyl)-N1,N1-dibutyl-cyclohex-4-ene-1,2-dicarboxamide (1S,2S)-N2-(4-bromophenyl)-N1,N1…

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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) 5.81 12.85 -11.17 1 4 0 49 435.406 9 ↓

    Analogs

    376810
    376810
    376811
    376811

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N2-(4-bromophenyl)-N1,N1-dibutyl-cyclohex-4-ene-1,2-dicarboxamide (1R,2R)-N2-(4-bromophenyl)-N1,N1…

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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) 5.81 13.03 -11.91 1 4 0 49 435.406 9 ↓

    Analogs

    376810
    376810
    376811
    376811

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N2-(4-bromophenyl)-N1,N1-dibutyl-cyclohex-4-ene-1,2-dicarboxamide (1S,2R)-N2-(4-bromophenyl)-N1,N1…

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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) 5.81 12.47 -9.23 1 4 0 49 435.406 9 ↓

    Analogs

    376813
    376813
    13477899
    13477899

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N1-(4-bromophenyl)-N2,N2-bis(3-hydroxypropyl)cyclohex-4-ene-1,2-dicarboxamide (1R,2S)-N1-(4-bromophenyl)-N2,N2…

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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) 2.22 4.33 -15.23 3 6 0 90 439.35 9 ↓

    Analogs

    376813
    376813
    13477899
    13477899

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N1-(4-bromophenyl)-N2,N2-bis(3-hydroxypropyl)cyclohex-4-ene-1,2-dicarboxamide (1S,2S)-N1-(4-bromophenyl)-N2,N2…

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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) 2.22 4.19 -16.06 3 6 0 90 439.35 9 ↓

    Analogs

    376813
    376813
    13477899
    13477899

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N1-(4-bromophenyl)-N2,N2-bis(3-hydroxypropyl)cyclohex-4-ene-1,2-dicarboxamide (1R,2R)-N1-(4-bromophenyl)-N2,N2…

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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) 2.22 4.72 -16.71 3 6 0 90 439.35 9 ↓

    Analogs

    376813
    376813
    13477899
    13477899

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N1-(4-bromophenyl)-N2,N2-bis(3-hydroxypropyl)cyclohex-4-ene-1,2-dicarboxamide (1S,2R)-N1-(4-bromophenyl)-N2,N2…

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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) 2.22 3.95 -13.73 3 6 0 90 439.35 9 ↓

    Analogs

    33910003
    33910003
    825368
    825368

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N2-(4-bromophenyl)-N1-methyl-cyclohex-4-ene-1,2-dicarboxamide (1R,2S)-N2-(4-bromophenyl)-N1-me…

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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 5.74 -9.53 2 4 0 58 337.217 3 ↓

    Analogs

    33910003
    33910003
    825368
    825368

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N2-(4-bromophenyl)-N1-methyl-cyclohex-4-ene-1,2-dicarboxamide (1S,2S)-N2-(4-bromophenyl)-N1-me…

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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 6.57 -12.9 2 4 0 58 337.217 3 ↓

    Analogs

    33910003
    33910003
    825368
    825368

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N2-(4-bromophenyl)-N1-methyl-cyclohex-4-ene-1,2-dicarboxamide (1R,2R)-N2-(4-bromophenyl)-N1-me…

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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 6.56 -12.74 2 4 0 58 337.217 3 ↓

    Analogs

    33910003
    33910003
    825368
    825368

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N2-(4-bromophenyl)-N1-methyl-cyclohex-4-ene-1,2-dicarboxamide (1S,2R)-N2-(4-bromophenyl)-N1-me…

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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 5.67 -8.89 2 4 0 58 337.217 3 ↓

    Analogs

    825368
    825368
    33910003
    33910003

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N2-(4-bromophenyl)-N1,N1-dimethyl-cyclohex-4-ene-1,2-dicarboxamide (1R,2S)-N2-(4-bromophenyl)-N1,N1…

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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) 2.50 7.15 -10.43 1 4 0 49 351.244 3 ↓

    Analogs

    825368
    825368
    33910003
    33910003

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N2-(4-bromophenyl)-N1,N1-dimethyl-cyclohex-4-ene-1,2-dicarboxamide (1S,2S)-N2-(4-bromophenyl)-N1,N1…

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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) 2.50 8.25 -13.48 1 4 0 49 351.244 3 ↓

    Analogs

    825368
    825368
    33910003
    33910003

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N2-(4-bromophenyl)-N1,N1-dimethyl-cyclohex-4-ene-1,2-dicarboxamide (1R,2R)-N2-(4-bromophenyl)-N1,N1…

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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) 2.50 8.11 -13.04 1 4 0 49 351.244 3 ↓

    Analogs

    825368
    825368
    33910003
    33910003

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N2-(4-bromophenyl)-N1,N1-dimethyl-cyclohex-4-ene-1,2-dicarboxamide (1S,2R)-N2-(4-bromophenyl)-N1,N1…

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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) 2.50 7.33 -8.98 1 4 0 49 351.244 3 ↓

    Analogs

    28167155
    28167155
    28167159
    28167159
    28167146
    28167146

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N1-(4-chlorophenyl)-N2,N2-bis(2-hydroxyethyl)cyclohex-4-ene-1,2-dicarboxamide (1R,2S)-N1-(4-chlorophenyl)-N2,N…

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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) 1.54 2.88 -13.1 3 6 0 90 366.845 7 ↓

    Analogs

    28167155
    28167155
    28167159
    28167159
    28167146
    28167146

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N1-(4-chlorophenyl)-N2,N2-bis(2-hydroxyethyl)cyclohex-4-ene-1,2-dicarboxamide (1S,2S)-N1-(4-chlorophenyl)-N2,N…

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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) 1.54 2.81 -13.54 3 6 0 90 366.845 7 ↓

    Analogs

    28167155
    28167155
    28167159
    28167159
    28167146
    28167146

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N1-(4-chlorophenyl)-N2,N2-bis(2-hydroxyethyl)cyclohex-4-ene-1,2-dicarboxamide (1R,2R)-N1-(4-chlorophenyl)-N2,N…

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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) 1.54 3.4 -14.37 3 6 0 90 366.845 7 ↓

    Analogs

    28167155
    28167155
    28167159
    28167159
    28167146
    28167146

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N1-(4-chlorophenyl)-N2,N2-bis(2-hydroxyethyl)cyclohex-4-ene-1,2-dicarboxamide (1S,2R)-N1-(4-chlorophenyl)-N2,N…

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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) 1.54 2.62 -12.14 3 6 0 90 366.845 7 ↓

    Analogs

    12374517
    12374517

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N1,N1-dibutyl-N2-(4-chlorophenyl)cyclohex-4-ene-1,2-dicarboxamide (1R,2S)-N1,N1-dibutyl-N2-(4-chlo…

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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) 5.68 11.83 -10.35 1 4 0 49 390.955 9 ↓

    Analogs

    12374517
    12374517

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N1,N1-dibutyl-N2-(4-chlorophenyl)cyclohex-4-ene-1,2-dicarboxamide (1S,2S)-N1,N1-dibutyl-N2-(4-chlo…

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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) 5.68 12.75 -11.19 1 4 0 49 390.955 9 ↓

    Analogs

    12374517
    12374517

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N1,N1-dibutyl-N2-(4-chlorophenyl)cyclohex-4-ene-1,2-dicarboxamide (1R,2R)-N1,N1-dibutyl-N2-(4-chlo…

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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) 5.68 12.93 -11.93 1 4 0 49 390.955 9 ↓

    Analogs

    12374517
    12374517

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N1,N1-dibutyl-N2-(4-chlorophenyl)cyclohex-4-ene-1,2-dicarboxamide (1S,2R)-N1,N1-dibutyl-N2-(4-chlo…

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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) 5.68 12.37 -9.16 1 4 0 49 390.955 9 ↓

    Analogs

    2894555
    2894555
    3155346
    3155346

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N2-(4-chlorophenyl)-N1-ethyl-cyclohex-4-ene-1,2-dicarboxamide (1R,2S)-N2-(4-chlorophenyl)-N1-e…

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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) 2.94 6.45 -9.35 2 4 0 58 306.793 4 ↓

    Analogs

    2894555
    2894555
    3155346
    3155346

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N2-(4-chlorophenyl)-N1-ethyl-cyclohex-4-ene-1,2-dicarboxamide (1S,2S)-N2-(4-chlorophenyl)-N1-e…

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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) 2.94 7.3 -12.65 2 4 0 58 306.793 4 ↓

    Analogs

    2894555
    2894555
    3155346
    3155346

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N2-(4-chlorophenyl)-N1-ethyl-cyclohex-4-ene-1,2-dicarboxamide (1R,2R)-N2-(4-chlorophenyl)-N1-e…

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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) 2.94 7.29 -12.59 2 4 0 58 306.793 4 ↓

    Analogs

    2894555
    2894555
    3155346
    3155346

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N2-(4-chlorophenyl)-N1-ethyl-cyclohex-4-ene-1,2-dicarboxamide (1S,2R)-N2-(4-chlorophenyl)-N1-e…

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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) 2.94 6.4 -8.43 2 4 0 58 306.793 4 ↓

    Analogs

    2894553
    2894553
    2894555
    2894555

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N2-(4-chlorophenyl)-N1,N1-diethyl-cyclohex-4-ene-1,2-dicarboxamide (1R,2S)-N2-(4-chlorophenyl)-N1,N…

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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 8.77 -10.74 1 4 0 49 334.847 5 ↓

    Analogs

    2894553
    2894553
    2894555
    2894555

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N2-(4-chlorophenyl)-N1,N1-diethyl-cyclohex-4-ene-1,2-dicarboxamide (1S,2S)-N2-(4-chlorophenyl)-N1,N…

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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 9.65 -11.7 1 4 0 49 334.847 5 ↓

    Analogs

    2894553
    2894553
    2894555
    2894555

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N2-(4-chlorophenyl)-N1,N1-diethyl-cyclohex-4-ene-1,2-dicarboxamide (1R,2R)-N2-(4-chlorophenyl)-N1,N…

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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 9.86 -12.38 1 4 0 49 334.847 5 ↓

    Analogs

    2894553
    2894553
    2894555
    2894555

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N2-(4-chlorophenyl)-N1,N1-diethyl-cyclohex-4-ene-1,2-dicarboxamide (1S,2R)-N2-(4-chlorophenyl)-N1,N…

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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 9.3 -9.68 1 4 0 49 334.847 5 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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 4.36 -17.57 3 8 0 116 418.49 11 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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 4.21 -18.8 3 8 0 116 418.49 11 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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 4.77 -19.42 3 8 0 116 418.49 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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 4 -17.06 3 8 0 116 418.49 11 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 5.18 11.97 -14.71 1 6 0 76 414.546 11 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 5.18 12.89 -15.08 1 6 0 76 414.546 11 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 5.18 13.07 -16.89 1 6 0 76 414.546 11 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 5.18 12.5 -13.17 1 6 0 76 414.546 11 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 3.05 8.91 -15.07 1 6 0 76 358.438 7 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 3.05 9.79 -15.52 1 6 0 76 358.438 7 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 3.05 10 -17.18 1 6 0 76 358.438 7 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 3.05 9.43 -13.67 1 6 0 76 358.438 7 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 3.24 7.85 -12.28 2 6 0 85 358.438 6 ↓

    Analogs

    17975877
    17975877

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 3.24 8.57 -15.36 2 6 0 85 358.438 6 ↓

    Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    SQL Query Was

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    Permalink

    //zinc12.docking.org/results/combination?ring.id=3937&filter.purchasability=annotated

    Embed Link to Results

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