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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) 3.30 -0.04 -8.51 1 2 0 29 245.366 3 ↓

    Analogs

    37027247
    37027247
    37027250
    37027250

    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) 3.82 8.91 -8.11 1 2 0 29 245.366 3 ↓

    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) 3.82 8.52 -8.64 1 2 0 29 245.366 3 ↓

    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) 3.82 8.52 -8.63 1 2 0 29 245.366 3 ↓

    Analogs

    37027247
    37027247
    37027250
    37027250

    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) 3.82 8.91 -8.11 1 2 0 29 245.366 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-aminophenyl)-N-(4-ethylcyclohexyl)-N-methyl-acetamide 2-(2-aminophenyl)-N-(4-ethylcycl…

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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) 3.27 8.04 -8.94 2 3 0 46 274.408 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-cyclohexyl-2-phenyl-propanamide (2R)-2-amino-N-cyclohexyl-2-phen…

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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) 2.76 4.69 -6.96 3 3 0 55 246.354 3 ↓
    Mid Mid (pH 6-8) 2.76 5 -51.73 4 3 1 57 247.362 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-cyclohexyl-2-phenyl-propanamide (2S)-2-amino-N-cyclohexyl-2-phen…

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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) 2.76 4.76 -8.03 3 3 0 55 246.354 3 ↓
    Mid Mid (pH 6-8) 2.76 5 -51.76 4 3 1 57 247.362 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-(4-hydroxycyclohexyl)-2-phenyl-propanamide (2R)-2-amino-N-(4-hydroxycyclohe…

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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) 1.14 1.42 -10.78 4 4 0 75 262.353 3 ↓
    Mid Mid (pH 6-8) 1.14 1.66 -56.06 5 4 1 77 263.361 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-(4-hydroxycyclohexyl)-2-phenyl-propanamide (2S)-2-amino-N-(4-hydroxycyclohe…

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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) 1.14 1.49 -8.28 4 4 0 75 262.353 3 ↓
    Mid Mid (pH 6-8) 1.14 1.8 -51.16 5 4 1 77 263.361 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-cyclohexyl-N-methyl-2-phenyl-propanamide (2R)-2-amino-N-cyclohexyl-N-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) 3.01 6.24 -5.88 2 3 0 46 260.381 3 ↓
    Mid Mid (pH 6-8) 3.01 6.45 -44.6 3 3 1 48 261.389 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-cyclohexyl-N-methyl-2-phenyl-propanamide (2S)-2-amino-N-cyclohexyl-N-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) 3.01 6.26 -8.04 2 3 0 46 260.381 3 ↓
    Mid Mid (pH 6-8) 3.01 6.63 -48.2 3 3 1 48 261.389 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1S,2R,3R)-2,3-d…

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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 5.68 -7.69 3 3 0 55 274.408 3 ↓
    Mid Mid (pH 6-8) 3.25 5.93 -51.76 4 3 1 57 275.416 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1S,2R,3S)-2,3-d…

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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 6.5 -7.23 3 3 0 55 274.408 3 ↓
    Mid Mid (pH 6-8) 3.25 6.75 -52.26 4 3 1 57 275.416 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1R,2R,3R)-2,3-d…

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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 5.85 -7.79 3 3 0 55 274.408 3 ↓
    Mid Mid (pH 6-8) 3.25 6.09 -52.03 4 3 1 57 275.416 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1R,2R,3S)-2,3-d…

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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 6.09 -7.79 3 3 0 55 274.408 3 ↓
    Mid Mid (pH 6-8) 3.25 6.33 -52.22 4 3 1 57 275.416 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenyl-propanamide (2R)-2-amino-N-cyclohexyl-N-ethy…

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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) 3.38 6.86 -6.98 2 3 0 46 274.408 4 ↓
    Mid Mid (pH 6-8) 3.38 7.15 -42.68 3 3 1 48 275.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-cyclohexyl-N-ethyl-2-phenyl-propanamide (2S)-2-amino-N-cyclohexyl-N-ethy…

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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) 3.38 7.1 -5.84 2 3 0 46 274.408 4 ↓
    Mid Mid (pH 6-8) 3.38 7.29 -43.35 3 3 1 48 275.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1S,2R)-2-methylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1S,2R)-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) 3.00 6.01 -7.42 3 3 0 55 260.381 3 ↓
    Mid Mid (pH 6-8) 3.00 6.27 -52.08 4 3 1 57 261.389 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1S,2S)-2-methylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1S,2S)-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) 3.00 5.62 -7.89 3 3 0 55 260.381 3 ↓
    Mid Mid (pH 6-8) 3.00 5.86 -52.25 4 3 1 57 261.389 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1R,2R)-2-methylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1R,2R)-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) 3.00 5.62 -7.93 3 3 0 55 260.381 3 ↓
    Mid Mid (pH 6-8) 3.00 5.86 -52.16 4 3 1 57 261.389 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1R,2S)-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) 3.00 6.01 -7.48 3 3 0 55 260.381 3 ↓
    Mid Mid (pH 6-8) 3.00 6.27 -52.01 4 3 1 57 261.389 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-(4-methylcyclohexyl)-2-phenyl-propanamide (2R)-2-amino-N-(4-methylcyclohex…

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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) 2.54 5.37 -7.94 3 3 0 55 260.381 3 ↓
    Mid Mid (pH 6-8) 2.54 5.61 -52 4 3 1 57 261.389 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-(4-methylcyclohexyl)-2-phenyl-propanamide (2S)-2-amino-N-(4-methylcyclohex…

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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) 2.54 5.7 -6.48 3 3 0 55 260.381 3 ↓
    Mid Mid (pH 6-8) 2.54 6.02 -51.83 4 3 1 57 261.389 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1R,3S)-3-hydroxycyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1R,3S)-3-hydrox…

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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) 1.38 1.35 -7.77 4 4 0 75 262.353 3 ↓
    Mid Mid (pH 6-8) 1.38 1.66 -52.1 5 4 1 77 263.361 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-[(1R,3S)-3-hydroxycyclohexyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1R,3S)-3-hydrox…

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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) 1.38 1.42 -8.68 4 4 0 75 262.353 3 ↓
    Mid Mid (pH 6-8) 1.38 1.66 -51.73 5 4 1 77 263.361 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1S,3S)-3-hydroxycyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1S,3S)-3-hydrox…

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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) 1.38 1.5 -9.97 4 4 0 75 262.353 3 ↓
    Mid Mid (pH 6-8) 1.38 1.8 -53.73 5 4 1 77 263.361 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-[(1S,3S)-3-hydroxycyclohexyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1S,3S)-3-hydrox…

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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) 1.38 1.57 -11.14 4 4 0 75 262.353 3 ↓
    Mid Mid (pH 6-8) 1.38 1.8 -54.25 5 4 1 77 263.361 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2R)-2-amino-2-phenyl-propanoyl]amino]cyclohexanecarboxamide 4-[[(2R)-2-amino-2-phenyl-propan…

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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) 0.89 1.83 -14.05 5 5 0 98 289.379 4 ↓
    Mid Mid (pH 6-8) 0.89 2.08 -52.93 6 5 1 100 290.387 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2S)-2-amino-2-phenyl-propanoyl]amino]cyclohexanecarboxamide 4-[[(2S)-2-amino-2-phenyl-propan…

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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) 0.89 1.76 -13.74 5 5 0 98 289.379 4 ↓
    Mid Mid (pH 6-8) 0.89 2.08 -55.94 6 5 1 100 290.387 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1S,2R)-2-ethylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1S,2R)-2-ethylc…

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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) 3.51 6.64 -7.34 3 3 0 55 274.408 4 ↓
    Mid Mid (pH 6-8) 3.51 6.88 -52.48 4 3 1 57 275.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1S,2S)-2-ethylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1S,2S)-2-ethylc…

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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) 3.51 6.27 -7.76 3 3 0 55 274.408 4 ↓
    Mid Mid (pH 6-8) 3.51 6.51 -52.39 4 3 1 57 275.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1R,2R)-2-ethylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1R,2R)-2-ethylc…

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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) 3.51 6.27 -7.76 3 3 0 55 274.408 4 ↓
    Mid Mid (pH 6-8) 3.51 6.51 -52.27 4 3 1 57 275.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1R,2S)-2-ethylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1R,2S)-2-ethylc…

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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) 3.51 6.64 -7.39 3 3 0 55 274.408 4 ↓
    Mid Mid (pH 6-8) 3.51 6.88 -52.41 4 3 1 57 275.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-methyl-N-(4-methylcyclohexyl)-2-phenyl-propanamide (2R)-2-amino-N-methyl-N-(4-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) 2.78 6.26 -7.55 2 3 0 46 274.408 3 ↓
    Mid Mid (pH 6-8) 2.78 7.2 -48.57 3 3 1 48 275.416 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-methyl-N-(4-methylcyclohexyl)-2-phenyl-propanamide (2S)-2-amino-N-methyl-N-(4-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) 2.78 6.79 -5.89 2 3 0 46 274.408 3 ↓
    Mid Mid (pH 6-8) 2.78 6.98 -44.84 3 3 1 48 275.416 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-cyclohexyl-N-(2-hydroxyethyl)-2-phenyl-propanamide (2R)-2-amino-N-cyclohexyl-N-(2-h…

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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) 2.38 5.07 -9.38 3 4 0 67 290.407 5 ↓
    Mid Mid (pH 6-8) 2.38 4.83 -51.52 4 4 1 68 291.415 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-cyclohexyl-N-(2-hydroxyethyl)-2-phenyl-propanamide (2S)-2-amino-N-cyclohexyl-N-(2-h…

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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) 2.38 4.84 -8.23 3 4 0 67 290.407 5 ↓
    Mid Mid (pH 6-8) 2.38 5.01 -43.5 4 4 1 68 291.415 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-(4-ethylcyclohexyl)-N-methyl-2-phenyl-propanamide (2R)-2-amino-N-(4-ethylcyclohexy…

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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 7.52 -8 2 3 0 46 288.435 4 ↓
    Mid Mid (pH 6-8) 3.46 7.77 -47.53 3 3 1 48 289.443 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-(4-ethylcyclohexyl)-N-methyl-2-phenyl-propanamide (2S)-2-amino-N-(4-ethylcyclohexy…

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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 7.2 -5.76 2 3 0 46 288.435 4 ↓
    Mid Mid (pH 6-8) 3.46 7.39 -45.12 3 3 1 48 289.443 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(2R)-2-amino-2-phenyl-propanoyl]amino]cyclohexanecarboxylic 1-[[(2R)-2-amino-2-phenyl-propan…

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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) 0.10 6.3 -58.57 3 5 -1 95 289.355 4 ↓
    Mid Mid (pH 6-8) 0.10 6.54 -81.26 4 5 0 97 290.363 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(2S)-2-amino-2-phenyl-propanoyl]amino]cyclohexanecarboxylic 1-[[(2S)-2-amino-2-phenyl-propan…

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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) 0.10 6.25 -56.89 3 5 -1 95 289.355 4 ↓
    Mid Mid (pH 6-8) 0.10 6.54 -71.79 4 5 0 97 290.363 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2R)-2-amino-2-phenyl-propanoyl]amino]cyclohexanecarboxylic 4-[[(2R)-2-amino-2-phenyl-propan…

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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) 1.40 5.72 -46.16 3 5 -1 95 289.355 4 ↓
    Mid Mid (pH 6-8) 1.40 5.97 -63.03 4 5 0 97 290.363 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2S)-2-amino-2-phenyl-propanoyl]amino]cyclohexanecarboxylic 4-[[(2S)-2-amino-2-phenyl-propan…

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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) 1.40 5.25 -51.62 3 5 -1 95 289.355 4 ↓
    Mid Mid (pH 6-8) 1.40 5.55 -87.63 4 5 0 97 290.363 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-methyl-N-[(1S,3R)-3-methylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-methyl-N-[(1S,3R)…

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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 6.94 -7.08 2 3 0 46 274.408 3 ↓
    Mid Mid (pH 6-8) 3.01 7.12 -47.44 3 3 1 48 275.416 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-methyl-N-[(1S,3S)-3-methylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-methyl-N-[(1S,3S)…

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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 6.95 -6.19 2 3 0 46 274.408 3 ↓
    Mid Mid (pH 6-8) 3.01 7.2 -44.92 3 3 0 48 275.416 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-methyl-N-[(1R,3R)…

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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 6.95 -6.48 2 3 0 46 274.408 3 ↓
    Mid Mid (pH 6-8) 3.01 7.2 -48.38 3 3 1 48 275.416 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-methyl-N-[(1R,3S)-3-methylcyclohexyl]-2-phenyl-propanamide (2R)-2-amino-N-methyl-N-[(1R,3S)…

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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 6.94 -7 2 3 0 46 274.408 3 ↓
    Mid Mid (pH 6-8) 3.01 7.12 -47.37 3 3 1 48 275.416 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-(4-ethylcyclohexyl)-2-phenyl-propanamide (2R)-2-amino-N-(4-ethylcyclohexy…

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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) 3.22 6.42 -7.42 3 3 0 55 274.408 4 ↓
    Mid Mid (pH 6-8) 3.22 6.68 -52.42 4 3 1 57 275.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-(4-ethylcyclohexyl)-2-phenyl-propanamide (2S)-2-amino-N-(4-ethylcyclohexy…

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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) 3.22 6.36 -6.45 3 3 0 55 274.408 4 ↓
    Mid Mid (pH 6-8) 3.22 6.68 -52.35 4 3 1 57 275.416 4 ↓

    Parameters Provided:

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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 = 3753 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=3753&filter.purchasability=annotated

    Embed Link to Results

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