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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) 1.21 1.42 -15.06 1 8 0 94 364.398 6 ↓

    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) 2.19 0 -13.69 1 4 0 49 274.364 3 ↓

    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) 2.06 -1.35 -13.42 1 4 0 49 325.206 2 ↓

    Analogs

    12864744
    12864744

    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) 2.08 0.32 -14.25 1 4 0 49 274.364 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-N-(m-tolyl)piperidine-4-carboxamide N-ethyl-N-(m-tolyl)piperidine-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) 2.37 7.06 -49 2 3 1 37 247.362 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[[(1R)-1-methylpropyl]carbamoyl]phenyl]-1-sulfamoyl-piperidine-4-carboxamide N-[2-[[(1R)-1-methylpropyl]carba…

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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) 1.03 1.96 -18.77 4 8 0 122 382.486 6 ↓
    Mid Mid (pH 6-8) 1.03 2.45 -49.97 3 8 -1 119 381.478 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[[(1S)-1-methylpropyl]carbamoyl]phenyl]-1-sulfamoyl-piperidine-4-carboxamide N-[2-[[(1S)-1-methylpropyl]carba…

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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) 1.03 1.96 -18.69 4 8 0 122 382.486 6 ↓
    Mid Mid (pH 6-8) 1.03 2.45 -49.94 3 8 -1 119 381.478 6 ↓

    Analogs

    40809588
    40809588

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-acetamidophenyl)piperidine-4-carboxamide N-(3-acetamidophenyl)piperidine-…

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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) 0.52 3.18 -57.87 4 5 1 75 262.333 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-methyl-3-nitro-phenyl)piperidine-4-carboxamide N-(4-methyl-3-nitro-phenyl)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) 1.66 5.51 -53.45 3 6 1 92 264.305 3 ↓

    Analogs

    45642221
    45642221

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-(2-methoxyethyl)-N4-phenyl-piperidine-1,4-dicarboxamide N1-(2-methoxyethyl)-N4-phenyl-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) 2.11 4.4 -15.39 2 6 0 71 305.378 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-cyano-3-fluoro-phenyl)piperidine-4-carboxamide N-(2-cyano-3-fluoro-phenyl)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) 1.15 4.83 -46.94 3 4 1 69 248.281 2 ↓

    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) 3.40 8.1 -12.82 1 5 0 59 318.417 4 ↓

    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) 3.61 7.96 -13.96 1 5 0 59 338.835 4 ↓

    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) 3.63 7.96 -12.6 1 5 0 59 338.835 4 ↓

    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) 3.83 8.4 -14.79 1 5 0 59 372.387 5 ↓

    Analogs

    45617375
    45617375

    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) 4.47 9.34 -12.51 1 5 0 59 346.471 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-acetyl-N-(4-methylsulfanylphenyl)-piperidine-4-carboxamide 1-acetyl-N-(4-methylsulfanylphen…

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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) 1.71 6.61 -14.68 1 4 0 49 292.404 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-dimethylaminophenyl)piperidine-4-carboxamide N-(4-dimethylaminophenyl)piperid…

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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) 1.43 4.77 -48.24 3 4 1 49 248.35 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide N-[4-bromo-3-(trifluoromethyl)ph…

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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) 4.58 8.49 -16.68 1 4 0 49 435.284 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-acetyl-N-(4-isopropylphenyl)piperidine-4-carboxamide 1-acetyl-N-(4-isopropylphenyl)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) 2.79 7.46 -13.89 1 4 0 49 288.391 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1,N1-dimethyl-N4-phenyl-piperidine-1,4-dicarboxamide N1,N1-dimethyl-N4-phenyl-piperid…

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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) 1.42 5.79 -14.28 1 5 0 53 275.352 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(2-amino-2-oxo-ethoxy)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide N-[3-(2-amino-2-oxo-ethoxy)pheny…

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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 1.44 -31.39 3 8 0 119 369.443 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide N-[3-(difluoromethoxy)-4-methoxy…

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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) 1.87 3.54 -19.25 1 7 0 85 392.424 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(1-acetylpiperidine-4-carbonyl)amino]benzoic 3-[(1-acetylpiperidine-4-carbony…

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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) 1.17 6.16 -67.44 1 6 -1 90 289.311 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(1-acetylpiperidine-4-carbonyl)amino]benzoic 4-[(1-acetylpiperidine-4-carbony…

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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) 1.19 6.07 -63.58 1 6 -1 90 289.311 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-acetamido-2-methyl-phenyl)-1-ethylsulfonyl-piperidine-4-carboxamide N-(3-acetamido-2-methyl-phenyl)-…

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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) 1.24 3.96 -26.53 2 7 0 96 367.471 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-acetamido-2-fluoro-phenyl)-1-ethylsulfonyl-piperidine-4-carboxamide N-(5-acetamido-2-fluoro-phenyl)-…

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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) 0.98 3.05 -19.59 2 7 0 96 371.434 5 ↓

    Analogs

    45678845
    45678845

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroethyl

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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) 2.23 5.77 -18.33 2 7 0 88 405.348 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) 4.26 9.87 -14.43 1 5 0 59 418.481 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,4-diethoxyphenyl)-1-ethylsulfonyl-piperidine-4-carboxamide N-(3,4-diethoxyphenyl)-1-ethylsu…

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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 5.11 -19.59 1 7 0 85 384.498 8 ↓

    Analogs

    22192720
    22192720

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    Popular Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroethyl

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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) 3.32 7.83 -18.67 1 7 0 77 418.412 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroethyl

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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) 3.85 7.62 -14.75 1 6 0 68 428.329 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide 1-methylsulfonyl-N-[2-(2,2,2-tri…

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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) 2.23 4 -16.33 1 6 0 76 380.388 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-ethylsulfonyl-N-(3-isopropylphenyl)piperidine-4-carboxamide 1-ethylsulfonyl-N-(3-isopropylph…

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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) 3.16 6 -20.65 1 5 0 66 338.473 5 ↓

    Analogs

    386201
    386201

    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) 2.19 5.65 -25.72 1 7 0 93 368.455 7 ↓

    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) 3.18 5.43 -19.29 2 8 0 105 439.578 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroethyl

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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) 4.20 7.91 -11.64 1 5 0 59 399.196 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(dimethylsulfamoyl)-N-(3-ethoxyphenyl)piperidine-4-carboxamide 1-(dimethylsulfamoyl)-N-(3-ethox…

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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) 1.71 3.76 -14.2 1 7 0 79 355.46 6 ↓

    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) 2.22 5.93 -17.21 1 8 0 96 397.497 7 ↓

    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) 1.82 5.16 -21.03 1 8 0 96 383.47 7 ↓

    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) 1.86 5.84 -14.83 1 8 0 96 397.497 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-carbamoylphenyl)-1-methylsulfonyl-piperidine-4-carboxamide N-(2-carbamoylphenyl)-1-methylsu…

    Find On: PubMed — Wikipedia — Google

    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) 0.06 0.41 -20.06 3 7 0 110 325.39 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-acetylphenyl)-1-butanoyl-piperidine-4-carboxamide N-(4-acetylphenyl)-1-butanoyl-pi…

    Find On: PubMed — Wikipedia — Google

    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) 2.58 7.55 -16.79 1 5 0 66 316.401 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-butanoyl-N-[4-(diethylamino)phenyl]piperidine-4-carboxamide 1-butanoyl-N-[4-(diethylamino)ph…

    Find On: PubMed — Wikipedia — Google

    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) 3.53 9.43 -13.99 1 5 0 53 345.487 7 ↓
    Mid Mid (pH 6-8) 3.53 9.52 -27.6 2 5 0 54 346.495 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-butanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide 1-butanoyl-N-[4-(trifluoromethyl…

    Find On: PubMed — Wikipedia — Google

    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) 3.57 8.13 -14.14 1 4 0 49 342.361 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-ethylsulfonyl-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide 1-ethylsulfonyl-N-[2-(methylcarb…

    Find On: PubMed — Wikipedia — Google

    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) 0.82 2.81 -19.48 2 7 0 96 353.444 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-methoxyacetyl)-N-phenyl-piperidine-4-carboxamide 1-(2-methoxyacetyl)-N-phenyl-pip…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.22 5.75 -16.98 1 5 0 59 276.336 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-bromophenyl)-1-(2-methoxyethyl)piperidine-4-carboxamide N-(4-bromophenyl)-1-(2-methoxyet…

    Find On: PubMed — Wikipedia — Google

    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) 2.71 7.03 -44.17 2 4 1 43 342.257 5 ↓
    Hi High (pH 8-9.5) 2.71 4.71 -9.71 1 4 0 42 341.249 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,2-dimethylpropanoyl)-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide 1-(2,2-dimethylpropanoyl)-N-(4-m…

    Find On: PubMed — Wikipedia — Google

    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) 1.81 4.57 -21.09 1 6 0 84 366.483 4 ↓

    Analogs

    4169762
    4169762

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-diethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide N-(2,5-diethoxyphenyl)-1-(2,2-di…

    Find On: PubMed — Wikipedia — Google

    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) 3.74 7.57 -18.28 1 6 0 68 376.497 7 ↓

    Parameters Provided:

    ring.id = 3863
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 = 3863 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=3863&filter.purchasability=annotated

    Embed Link to Results

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