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

    16551820
    16551820

    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) 4.02 7.28 -7.92 1 3 0 32 238.375 1 ↓

    Analogs

    16551820
    16551820

    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) 4.02 7.28 -8 1 3 0 32 238.375 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(4-propylpiperidine-1-carbonyl)amino]cyclohexanecarboxylic 1-[(4-propylpiperidine-1-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) 2.18 9.54 -61.55 1 5 -1 72 295.403 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(4-propylpiperidine-1-carbonyl)amino]cyclohexanecarboxylic 4-[(4-propylpiperidine-1-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) 3.48 8.69 -52.46 1 5 -1 72 295.403 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]piperidine-1,4-dicarboxamide N1-[(1S,2R,3R)-2,3-dimethylcyclo…

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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 3.69 -16.12 3 5 0 75 281.4 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]piperidine-1,4-dicarboxamide N1-[(1S,2R,3S)-2,3-dimethylcyclo…

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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 4.52 -15.46 3 5 0 75 281.4 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]piperidine-1,4-dicarboxamide N1-[(1R,2R,3R)-2,3-dimethylcyclo…

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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 3.91 -13.49 3 5 0 75 281.4 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-1,4-dicarboxamide N1-[(1R,2R,3S)-2,3-dimethylcyclo…

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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 4.11 -16.2 3 5 0 75 281.4 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-dimethylaminoethyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]piperidine-1-carboxamide 4-(2-dimethylaminoethyl)-N-[(1S,…

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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) 4.19 9.61 -42.99 2 4 1 37 310.506 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-dimethylaminoethyl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]piperidine-1-carboxamide 4-(2-dimethylaminoethyl)-N-[(1S,…

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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) 4.19 10.44 -42.49 2 4 1 37 310.506 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-dimethylaminoethyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]piperidine-1-carboxamide 4-(2-dimethylaminoethyl)-N-[(1R,…

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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) 4.19 9.79 -42.76 2 4 1 37 310.506 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-dimethylaminoethyl)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-1-carboxamide 4-(2-dimethylaminoethyl)-N-[(1R,…

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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) 4.19 10.02 -42.92 2 4 1 37 310.506 4 ↓

    Analogs

    26295194
    26295194
    26295201
    26295201
    26295207
    26295207
    26295212
    26295212

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-(4-propylcyclohexyl)piperidine-1,4-dicarboxamide N1-(4-propylcyclohexyl)piperidin…

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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) 2.97 5.22 -13.04 3 5 0 75 295.427 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-3-ethoxy-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide (3R)-3-ethoxy-N-(4-hydroxycycloh…

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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 2.75 -11.54 2 5 0 62 270.373 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-ethoxy-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide (3S)-3-ethoxy-N-(4-hydroxycycloh…

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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 2.76 -11.6 2 5 0 62 270.373 3 ↓

    Analogs

    25754955
    25754955

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2,2-dimethylpropanoylamino)-N,N-bis[4-(2,2-dimethylpropanoylamino)-6-piperidyl]-piperidine-1-carb 4-(2,2-dimethylpropanoylamino)-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) 3.98 -2.54 -13.66 2 5 0 61 309.454 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(cyclohexylcarbamoyl)-4-methyl-piperidine-4-carboxylic 1-(cyclohexylcarbamoyl)-4-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) 2.71 6.94 -49.88 1 5 -1 72 267.349 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[(4-methylcyclohexyl)carbamoyl]piperidine-4-carboxylic 4-methyl-1-[(4-methylcyclohexyl)…

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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) 2.48 7.49 -49.34 1 5 -1 72 281.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(4-hydroxycyclohexyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[(4-hydroxycyclohexyl)carbamoy…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.09 3.6 -52.11 2 6 -1 93 283.348 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[cyclohexyl(methyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclohexyl(methyl)carbamoyl]-…

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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) 2.41 8.18 -53.3 0 5 -1 64 281.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[cyclohexyl(ethyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclohexyl(ethyl)carbamoyl]-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) 2.78 7.85 -51.55 0 5 -1 64 295.403 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(1S,2R)-2-methylcyc…

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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) 2.95 8.21 -49.03 1 5 -1 72 281.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(1S,2S)-2-methylcyc…

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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) 2.95 7.78 -50.77 1 5 -1 72 281.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(1R,2R)-2-methylcyc…

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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) 2.95 7.8 -49.75 1 5 -1 72 281.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(1R,2S)-2-methylcyc…

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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) 2.95 8.15 -49.6 1 5 -1 72 281.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1S,2R,3R)-2,3-dimethylcyclo…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.19 7.79 -49.26 1 5 -1 72 295.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1S,2R,3S)-2,3-dimethylcyclo…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.19 8.62 -48.69 1 5 -1 72 295.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1R,2R,3R)-2,3-dimethylcyclo…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.19 7.97 -49.54 1 5 -1 72 295.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1R,2R,3S)-2,3-dimethylcyclo…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.19 8.28 -49.51 1 5 -1 72 295.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[[(1S,3R)-3-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(1S,3R)-3-methylcyc…

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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) 2.72 7.48 -49.31 1 5 -1 72 281.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[[(1S,3S)-3-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(1S,3S)-3-methylcyc…

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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) 2.72 7.89 -48.68 1 5 -1 72 281.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[[(1R,3R)-3-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(1R,3R)-3-methylcyc…

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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) 2.72 7.9 -49.43 1 5 -1 72 281.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[[(1R,3S)-3-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(1R,3S)-3-methylcyc…

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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) 2.72 7.48 -49.53 1 5 -1 72 281.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1R,2S)-2-aminocyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1R,2S)-2-aminocyclohexyl]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) 1.07 4.89 -75.97 4 6 0 100 283.372 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1S,2S)-2-aminocyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1S,2S)-2-aminocyclohexyl]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) 1.07 4.46 -84.04 4 6 0 100 283.372 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1R,2R)-2-aminocyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1R,2R)-2-aminocyclohexyl]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) 1.07 4.47 -85.95 4 6 0 100 283.372 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1S,2R)-2-aminocyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1S,2R)-2-aminocyclohexyl]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) 1.07 4.91 -76.98 4 6 0 100 283.372 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[methyl-(4-methylcyclohexyl)carbamoyl]piperidine-4-carboxylic 4-methyl-1-[methyl-(4-methylcycl…

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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) 2.18 8.13 -51.56 0 5 -1 64 295.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[methyl-[(1S,3R)-3-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[methyl-[(1S,3R)-3-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) 2.41 8.82 -53.12 0 5 -1 64 295.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[methyl-[(1S,3S)-3-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[methyl-[(1S,3S)-3-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) 2.41 8.2 -51.79 0 5 -1 64 295.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[methyl-[(1R,3R)-3-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[methyl-[(1R,3R)-3-me…

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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) 2.41 8.2 -52.02 0 5 -1 64 295.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[methyl-[(1R,3S)-3-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[methyl-[(1R,3S)-3-me…

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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) 2.41 8.82 -53.25 0 5 -1 64 295.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1S,2R)-2-ethylcyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1S,2R)-2-ethylcyclohexyl]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) 3.46 8.77 -49.04 1 5 -1 72 295.403 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1S,2S)-2-ethylcyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1S,2S)-2-ethylcyclohexyl]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) 3.46 8.43 -50.6 1 5 -1 72 295.403 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1R,2R)-2-ethylcyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1R,2R)-2-ethylcyclohexyl]ca…

    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) 3.46 8.46 -49.55 1 5 -1 72 295.403 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1R,2S)-2-ethylcyclohexyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1R,2S)-2-ethylcyclohexyl]ca…

    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) 3.46 8.83 -49.4 1 5 -1 72 295.403 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(4-ethylcyclohexyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[(4-ethylcyclohexyl)carbamoyl]…

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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) 3.17 8.13 -49.24 1 5 -1 72 295.403 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[methyl-[(1S,2R)-2-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[methyl-[(1S,2R)-2-me…

    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) 2.65 8.21 -50.8 0 5 -1 64 295.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[methyl-[(1S,2S)-2-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[methyl-[(1S,2S)-2-me…

    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) 2.65 9.29 -53.19 0 5 -1 64 295.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-1-[methyl-[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[methyl-[(1R,2R)-2-me…

    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) 2.65 9.29 -53.41 0 5 -1 64 295.403 2 ↓

    Parameters Provided:

    ring.id = 4395
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 = 4395 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=4395&filter.purchasability=annotated

    Embed Link to Results

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