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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-acetyl-N-(2-methyl-2-phenyl-propyl)piperidine-4-carboxamide 1-acetyl-N-(2-methyl-2-phenyl-pr…

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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) 2.36 7.49 -16.01 1 4 0 49 302.418 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]piperidine-4-carboxamide N-[(1S)-2-(4-fluorophenyl)-1-met…

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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) 1.92 6.32 -49.2 3 3 1 46 265.352 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]piperidine-4-carboxamide N-[(1R)-2-(4-fluorophenyl)-1-met…

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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) 1.92 6.32 -49.58 3 3 1 46 265.352 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-acetyl-N-[2-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide 1-acetyl-N-[2-(2,5-dimethoxyphen…

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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 5.06 -19.99 1 6 0 68 334.416 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(4-isopropylphenyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide N-[2-(4-isopropylphenyl)ethyl]-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) 2.91 6.02 -19.66 1 5 0 66 352.5 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) 3.07 9.11 -54.6 2 7 1 72 406.547 10 ↓

    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) 3.07 9.12 -55.22 2 7 1 72 406.547 10 ↓

    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) 3.07 7.69 -14.16 1 6 0 68 362.47 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-ethylsulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide 1-ethylsulfonyl-N-[2-(2-methoxyp…

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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) 1.78 4.35 -20.42 1 6 0 76 354.472 7 ↓

    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) 2.79 8.02 -14.21 1 4 0 49 302.418 6 ↓

    Analogs

    26152306
    26152306

    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) 2.87 9.44 -46.97 2 6 1 63 376.521 7 ↓
    Mid Mid (pH 6-8) 2.87 7.84 -12.32 1 6 0 62 375.513 7 ↓

    Analogs

    26152306
    26152306

    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) 2.87 9.45 -46.92 2 6 1 63 376.521 7 ↓
    Mid Mid (pH 6-8) 2.87 6.84 -11.37 1 6 0 62 375.513 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide N-[2-[4-(difluoromethoxy)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) 3.66 7.5 -17.67 1 5 0 59 382.451 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N4-allyl-N1,N1-dimethyl-N4-phenethyl-piperidine-1,4-dicarboxamide N4-allyl-N1,N1-dimethyl-N4-phene…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.42 10.1 -19.06 0 5 0 44 343.471 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1,N1-dimethyl-N4-[2-(m-tolyl)ethyl]piperidine-1,4-dicarboxamide N1,N1-dimethyl-N4-[2-(m-tolyl)et…

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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) 1.96 7.41 -17.06 1 5 0 53 317.433 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N4-[2-(2-fluorophenyl)-2-methyl-propyl]-N1,N1-dimethyl-piperidine-1,4-dicarboxamide N4-[2-(2-fluorophenyl)-2-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) 2.62 7.72 -16.07 1 5 0 53 349.45 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-butanoyl-N-[2-(2-fluorophenyl)-2-methyl-propyl]piperidine-4-carboxamide 1-butanoyl-N-[2-(2-fluorophenyl)…

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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) 3.87 9.02 -13.13 1 4 0 49 348.462 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1,N1-dimethyl-N4-[2-methyl-2-(m-tolyl)propyl]piperidine-1,4-dicarboxamide N1,N1-dimethyl-N4-[2-methyl-2-(m…

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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 8.48 -16.55 1 5 0 53 345.487 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-bromoallyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide 1-(2-bromoallyl)-N-[2-(2-fluorop…

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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 7.19 -11.22 1 3 0 32 369.278 6 ↓
    Mid Mid (pH 6-8) 3.25 9.4 -45.58 2 3 1 34 370.286 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(4-fluorophenyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[2-(4-fluorophenyl)ethyl]-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) 2.17 5.73 -44.26 3 3 1 46 265.352 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(4-methoxyphenyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[2-(4-methoxyphenyl)ethyl]-4-m…

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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 4.96 -43.85 3 4 1 55 277.388 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[2-(2-fluorophenyl)ethyl]-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) 2.12 5.71 -43.58 3 3 1 46 265.352 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N-phenethyl-piperidine-4-carboxamide 4-methyl-N-phenethyl-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) 2.00 5.66 -41.99 3 3 1 46 247.362 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[2-(2,4-dichlorophenyl)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) 3.29 6.59 -43.73 3 3 1 46 316.252 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-hydroxy-2-phenyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(2R)-2-hydroxy-2-phenyl-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) 1.01 2.59 -41.68 4 4 1 66 263.361 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-hydroxy-2-phenyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(2S)-2-hydroxy-2-phenyl-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) 1.01 2.5 -41.74 4 4 1 66 263.361 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(3-fluorophenyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[2-(3-fluorophenyl)ethyl]-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) 2.14 5.73 -44.43 3 3 1 46 265.352 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-(2-chlorophenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1S)-2-(2-chlorophenyl)-1-met…

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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) 2.96 7.02 -42.51 3 3 1 46 295.834 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-(2-chlorophenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1R)-2-(2-chlorophenyl)-1-met…

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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) 2.96 7.02 -43.27 3 3 1 46 295.834 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-(4-chlorophenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1S)-2-(4-chlorophenyl)-1-met…

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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) 3.01 7.19 -40.32 3 3 1 46 295.834 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-(4-chlorophenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1R)-2-(4-chlorophenyl)-1-met…

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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) 3.01 7.18 -40.26 3 3 1 46 295.834 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-(3-chlorophenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1S)-2-(3-chlorophenyl)-1-met…

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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) 2.99 7.18 -42.43 3 3 1 46 295.834 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-(3-chlorophenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1R)-2-(3-chlorophenyl)-1-met…

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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) 2.99 7.18 -40.96 3 3 1 46 295.834 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-(4-bromophenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1S)-2-(4-bromophenyl)-1-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) 3.14 7.3 -40.15 3 3 1 46 340.285 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-(4-bromophenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1R)-2-(4-bromophenyl)-1-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) 3.14 7.29 -40.11 3 3 1 46 340.285 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-(2,6-difluorophenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1S)-2-(2,6-difluorophenyl)-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) 2.57 6.78 -41.29 3 3 1 46 297.369 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-(2,6-difluorophenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1R)-2-(2,6-difluorophenyl)-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) 2.57 6.78 -40.42 3 3 1 46 297.369 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N-[(1R)-1-methyl-2-(o-tolyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1R)-1-methyl-2-(o-t…

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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) 2.73 7.01 -41.54 3 3 1 46 275.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N-[(1S)-1-methyl-2-(o-tolyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1S)-1-methyl-2-(o-t…

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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) 2.73 7.06 -39.34 3 3 1 46 275.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-(2-methoxyphenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1S)-2-(2-methoxyphenyl)-1-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) 2.34 5.96 -41.71 3 4 1 55 291.415 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-(2-methoxyphenyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1R)-2-(2-methoxyphenyl)-1-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) 2.34 6.37 -41.32 3 4 1 55 291.415 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-4-methyl-N-phenethyl-piperidine-4-carboxamide N-ethyl-4-methyl-N-phenethyl-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) 2.29 8.04 -41.07 2 3 1 37 275.416 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N-(2-methyl-2-phenyl-propyl)piperidine-4-carboxamide 4-methyl-N-(2-methyl-2-phenyl-pr…

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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) 2.98 6.73 -41.51 3 3 1 46 275.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[(4-methylpiperidine-4-carbonyl)amino]-3-phenyl-propanoic (2S)-2-[(4-methylpiperidine-4-ca…

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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) -0.22 6.75 -62.99 3 5 0 86 290.363 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[(4-methylpiperidine-4-carbonyl)amino]-3-phenyl-propanoic (2R)-2-[(4-methylpiperidine-4-ca…

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    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) -0.22 6.82 -75.59 3 5 0 86 290.363 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[2-[(4-methylpiperidine-4-carbonyl)amino]ethyl]benzoic 4-[2-[(4-methylpiperidine-4-carb…

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    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) 1.92 6.23 -83.55 3 5 0 86 290.363 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N-[2-(4-nitrophenyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[2-(4-nitrophenyl)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) 1.96 6.38 -50.15 3 6 1 92 292.359 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[2-(4-hydroxyphenyl)ethyl]-4-m…

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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 2.81 -44.38 4 4 1 66 263.361 4 ↓

    Analogs

    40802074
    40802074
    40802078
    40802078

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(2R)-2-(dimethylamino)-2-phen…

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    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 6.78 -87.48 4 4 2 50 291.439 5 ↓
    Mid Mid (pH 6-8) 1.81 4.24 -40.09 3 4 1 49 290.431 5 ↓

    Analogs

    40802074
    40802074
    40802078
    40802078

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(2S)-2-(dimethylamino)-2-phen…

    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 6.78 -92.81 4 4 2 50 291.439 5 ↓
    Mid Mid (pH 6-8) 1.81 4.72 -41.86 3 4 1 49 290.431 5 ↓

    Parameters Provided:

    ring.id = 12361
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 = 12361 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=12361&filter.purchasability=annotated

    Embed Link to Results

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