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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%

    Popular Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-2-(2-aminophenyl)acetamide N-[1-(2-amino-2-oxo-ethyl)-4-pip…

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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) -0.19 1.68 -45.89 6 6 1 103 291.375 5 ↓

    Analogs

    40306402
    40306402
    40320288
    40320288

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-aminophenyl)-N-(1-ethyl-4-piperidyl)acetamide 2-(2-aminophenyl)-N-(1-ethyl-4-p…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.45 5.44 -41.62 4 4 1 60 262.377 4 ↓

    Analogs

    40320288
    40320288

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-aminophenyl)-N-methyl-N-(1-propyl-4-piperidyl)acetamide 2-(2-aminophenyl)-N-methyl-N-(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) 2.20 7.98 -42.68 3 4 1 51 290.431 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-methyl-N-(1-methyl-4-piperidyl)-2-phenyl-propanamide (2R)-2-amino-N-methyl-N-(1-methy…

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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) 1.52 6.08 -39.43 3 4 1 51 276.404 3 ↓
    Mid Mid (pH 6-8) 1.52 6.29 -93.53 4 4 2 52 277.412 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-methyl-N-(1-methyl-4-piperidyl)-2-phenyl-propanamide (2S)-2-amino-N-methyl-N-(1-methy…

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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) 1.52 6.1 -40.97 3 4 1 51 276.404 3 ↓
    Mid Mid (pH 6-8) 1.52 6.47 -98.78 4 4 2 52 277.412 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-(1-methyl-4-piperidyl)-2-phenyl-propanamide (2R)-2-amino-N-(1-methyl-4-piper…

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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) 1.28 4.6 -42.35 4 4 1 60 262.377 3 ↓
    Mid Mid (pH 6-8) 1.28 4.85 -104.82 5 4 2 61 263.385 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-(1-methyl-4-piperidyl)-2-phenyl-propanamide (2S)-2-amino-N-(1-methyl-4-piper…

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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) 1.28 4.54 -39.8 4 4 1 60 262.377 3 ↓
    Mid Mid (pH 6-8) 1.28 4.85 -104.8 5 4 2 61 263.385 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-(1-ethyl-4-piperidyl)-N-methyl-2-phenyl-propanamide (2R)-2-amino-N-(1-ethyl-4-piperi…

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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) 1.90 6.75 -39.38 3 4 1 51 290.431 4 ↓
    Mid Mid (pH 6-8) 1.90 6.98 -97.05 4 4 2 52 291.439 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-(1-ethyl-4-piperidyl)-N-methyl-2-phenyl-propanamide (2S)-2-amino-N-(1-ethyl-4-piperi…

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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) 1.90 6.68 -38.08 3 4 1 51 290.431 4 ↓
    Mid Mid (pH 6-8) 1.90 6.86 -93.21 4 4 2 52 291.439 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(1-acetyl-4-piperidyl)-2-amino-2-phenyl-propanamide (2R)-N-(1-acetyl-4-piperidyl)-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) 0.64 3.53 -13.93 3 5 0 75 289.379 3 ↓
    Mid Mid (pH 6-8) 0.64 3.84 -60.77 4 5 1 77 290.387 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(1-acetyl-4-piperidyl)-2-amino-2-phenyl-propanamide (2S)-N-(1-acetyl-4-piperidyl)-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) 0.64 3.6 -15.37 3 5 0 75 289.379 3 ↓
    Mid Mid (pH 6-8) 0.64 3.84 -62.37 4 5 1 77 290.387 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-(1-ethyl-4-piperidyl)-2-phenyl-propanamide (2R)-2-amino-N-(1-ethyl-4-piperi…

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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) 1.65 5.19 -38.44 4 4 1 60 276.404 4 ↓
    Mid Mid (pH 6-8) 1.65 5.5 -105.06 5 4 2 61 277.412 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-(1-ethyl-4-piperidyl)-2-phenyl-propanamide (2S)-2-amino-N-(1-ethyl-4-piperi…

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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) 1.65 5.26 -40.97 4 4 1 60 276.404 4 ↓
    Mid Mid (pH 6-8) 1.65 5.5 -104.03 5 4 2 61 277.412 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-2-phenyl-N-(1-propyl-4-piperidyl)propanamide (2R)-2-amino-2-phenyl-N-(1-propy…

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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 6 -41.69 4 4 1 60 290.431 5 ↓
    Mid Mid (pH 6-8) 2.16 6.24 -106.36 5 4 2 61 291.439 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-2-phenyl-N-(1-propyl-4-piperidyl)propanamide (2S)-2-amino-2-phenyl-N-(1-propy…

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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 5.94 -39.11 4 4 1 60 290.431 5 ↓
    Mid Mid (pH 6-8) 2.16 6.24 -105.38 5 4 2 61 291.439 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-(1-methyl-4-piperidyl)acetamide 2-(3-aminophenyl)-N-(1-methyl-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) 0.69 4.68 -42.79 4 4 1 60 248.35 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-(1-ethyl-4-piperidyl)-N-methyl-acetamide 2-(3-aminophenyl)-N-(1-ethyl-4-p…

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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) 1.31 7.13 -41.84 3 4 1 51 276.404 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-(1-methylsulfonyl-4-piperidyl)acetamide 2-(3-aminophenyl)-N-(1-methylsul…

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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) 0.07 1.29 -16.12 3 6 0 93 311.407 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-(1-tert-butyl-4-piperidyl)acetamide 2-(3-aminophenyl)-N-(1-tert-buty…

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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) 1.88 6.09 -39.03 4 4 1 60 290.431 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-(1-isopropyl-4-piperidyl)-N-methyl-acetamide 2-(3-aminophenyl)-N-(1-isopropyl…

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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) 1.61 7.66 -40.25 3 4 1 51 290.431 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-(2-hydroxyethyl)-N-(1-methyl-4-piperidyl)acetamide 2-(3-aminophenyl)-N-(2-hydroxyet…

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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) 0.31 4.49 -37.76 4 5 1 71 292.403 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-2-(3-aminophenyl)acetamide N-[1-(2-amino-2-oxo-ethyl)-4-pip…

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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) -0.57 1.58 -45.51 6 6 1 103 291.375 5 ↓
    Mid Mid (pH 6-8) -0.57 -0.61 -14.25 5 6 0 101 290.367 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-(1-ethyl-4-piperidyl)acetamide 2-(3-aminophenyl)-N-(1-ethyl-4-p…

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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) 1.07 5.35 -41.4 4 4 1 60 262.377 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-methyl-N-(1-propyl-4-piperidyl)acetamide 2-(3-aminophenyl)-N-methyl-N-(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) 1.82 7.87 -42.53 3 4 1 51 290.431 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-(1-propyl-4-piperidyl)acetamide 2-(3-aminophenyl)-N-(1-propyl-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) 1.57 6.09 -42.09 4 4 1 60 276.404 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenyl)-N-(4-cyano-1-methyl-4-piperidyl)acetamide 2-(3-chlorophenyl)-N-(4-cyano-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) 2.15 7.07 -52.83 2 4 1 57 292.79 3 ↓
    Hi High (pH 8-9.5) 2.15 4.69 -14.71 1 4 0 56 291.782 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-carbamothioyl-1-methyl-4-piperidyl)-2-(3-chlorophenyl)acetamide N-(4-carbamothioyl-1-methyl-4-pi…

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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) 1.28 6.51 -55.44 4 4 1 60 326.873 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenyl)-N-methyl-N-(4-piperidyl)acetamide 2-(3-chlorophenyl)-N-methyl-N-(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) 1.95 6.89 -47.7 2 3 1 37 267.78 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenyl)-N-(4-piperidyl)acetamide 2-(3-chlorophenyl)-N-(4-piperidy…

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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) 1.70 5.11 -47.54 3 3 1 46 253.753 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenyl)-N-ethyl-N-(4-piperidyl)acetamide 2-(3-chlorophenyl)-N-ethyl-N-(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) 2.32 7.88 -39.73 2 3 1 37 281.807 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenyl)-N-(4-piperidyl)-N-propyl-acetamide 2-(3-chlorophenyl)-N-(4-piperidy…

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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) 2.83 8.64 -39.78 2 3 1 37 295.834 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-amino-2-oxo-ethyl)-2-(3-chlorophenyl)-N-(4-piperidyl)acetamide N-(2-amino-2-oxo-ethyl)-2-(3-chl…

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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) 0.68 4.32 -45.38 4 5 1 80 310.805 5 ↓

    Analogs

    37829715
    37829715
    37829716
    37829716
    37831875
    37831875
    37831876
    37831876
    37834271
    37834271

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-chloro-N-(1-ethyl-4-piperidyl)-N-methyl-2-phenyl-acetamide (2R)-2-chloro-N-(1-ethyl-4-piper…

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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) 2.65 9.66 -41.73 1 3 1 25 295.834 4 ↓

    Analogs

    37829715
    37829715
    37829716
    37829716
    37831875
    37831875
    37831876
    37831876
    37834271
    37834271

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-chloro-N-(1-ethyl-4-piperidyl)-N-methyl-2-phenyl-acetamide (2S)-2-chloro-N-(1-ethyl-4-piper…

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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) 2.65 9.67 -41.83 1 3 1 25 295.834 4 ↓

    Analogs

    37804608
    37804608
    37804609
    37804609
    37824913
    37824913

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-N-(1-ethylpiperidin-4-yl)-N-methyl-2-phenylacetamide dihydrochloride 2-amino-N-(1-ethylpiperidin-4-yl…

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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 5.98 -40.45 3 4 1 51 276.404 4 ↓
    Mid Mid (pH 6-8) -0.43 6.32 -91.5 4 4 2 52 277.412 4 ↓

    Analogs

    37804608
    37804608
    37804609
    37804609
    37824913
    37824913

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-N-(1-ethylpiperidin-4-yl)-N-methyl-2-phenylacetamide dihydrochloride 2-amino-N-(1-ethylpiperidin-4-yl…

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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 6 -40.29 3 4 1 51 276.404 4 ↓
    Mid Mid (pH 6-8) -0.43 6.33 -91.52 4 4 2 52 277.412 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-dimethylaminoethyl)-2-(4-methoxy-3-methyl-phenyl)-N-(1-methyl-4-piperidyl)acetamide N-(2-dimethylaminoethyl)-2-(4-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) 2.35 2.79 -98.56 2 5 2 38 349.519 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-cyano-1-methyl-4-piperidyl)-2-(3,4-dichlorophenyl)acetamide N-(4-cyano-1-methyl-4-piperidyl)…

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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) 2.78 7.53 -54.7 2 4 1 57 327.235 3 ↓
    Hi High (pH 8-9.5) 2.78 5.14 -15.82 1 4 0 56 326.227 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)-4-piperidyl]acetamide 2-(2-methoxyphenyl)-N-[1-(3-meth…

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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) 2.62 7.32 -15.99 1 5 0 59 332.444 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-butyl tert-butyl

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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) 2.44 7.83 -13.39 1 6 0 68 348.443 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-butyl tert-butyl

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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) 2.44 7.81 -13.56 1 6 0 68 348.443 6 ↓

    Analogs

    4388681
    4388681

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-diisopropyl-4-(2-phenylacetyl)amino-piperidine-1-carboxamide N,N-diisopropyl-4-(2-phenylacety…

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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) 2.88 -0.88 -14.25 1 5 0 52 345.487 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonyl-4-piperidyl)-acetamide 2-(3,4-dimethoxyphenyl)-N-(1-eth…

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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) 1.04 -4.79 -22.02 1 7 0 84 370.471 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 1.81 6.9 -44.15 2 3 1 34 251.325 3 ↓

    Analogs

    16580165
    16580165
    16605624
    16605624
    16605626
    16605626
    36718569
    36718569
    36718570
    36718570

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 3.66 9.39 -41.55 2 3 1 34 289.443 6 ↓

    Analogs

    16605624
    16605624
    16605626
    16605626
    36718569
    36718569
    36718570
    36718570
    16580163
    16580163

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 3.66 9.31 -40.27 2 3 1 34 289.443 6 ↓

    Analogs

    16604516
    16604516
    20220073
    20220073
    12382521
    12382521

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 2.13 7.48 -41.42 2 3 1 34 265.352 4 ↓

    Analogs

    8130576
    8130576
    12382519
    12382519

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 2.93 7.76 -42.47 2 3 1 34 302.225 3 ↓

    Analogs

    20608753
    20608753
    25383323
    25383323
    25383327
    25383327
    37005013
    37005013
    37042439
    37042439

    Draw Identity 99% 90% 80% 70%


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    Find On: PubMed — Wikipedia — Google

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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) 2.52 8.18 -41.97 2 3 1 34 261.389 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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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) 2.10 5.93 -13.87 1 6 0 68 320.389 6 ↓

    Parameters Provided:

    ring.id = 17723
filter.purchasability = annotated
page.format = targets
page.num = 1

    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 INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 17723 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=17723&filter.purchasability=annotated

    Embed Link to Results

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