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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) 3.05 -0.17 -8.72 1 2 0 29 217.312 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-cyclopentyl-2-phenyl-propanamide (2R)-2-amino-N-cyclopentyl-2-phe…

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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) 2.26 4.17 -6.74 3 3 0 55 232.327 3 ↓
    Mid Mid (pH 6-8) 2.26 4.47 -51.52 4 3 1 57 233.335 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-cyclopentyl-2-phenyl-propanamide (2S)-2-amino-N-cyclopentyl-2-phe…

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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) 2.26 4.24 -7.77 3 3 0 55 232.327 3 ↓
    Mid Mid (pH 6-8) 2.26 4.47 -51.38 4 3 1 57 233.335 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-cyclopentyl-N-methyl-2-phenyl-propanamide (2R)-2-amino-N-cyclopentyl-N-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) 2.50 5.7 -6.67 2 3 0 46 246.354 3 ↓
    Mid Mid (pH 6-8) 2.50 5.91 -47.08 3 3 1 48 247.362 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-cyclopentyl-N-methyl-2-phenyl-propanamide (2S)-2-amino-N-cyclopentyl-N-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) 2.50 5.68 -7.87 2 3 0 46 246.354 3 ↓
    Mid Mid (pH 6-8) 2.50 6.05 -48.08 3 3 1 48 247.362 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-cyclopentyl-N-ethyl-2-phenyl-propanamide (2R)-2-amino-N-cyclopentyl-N-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) 2.88 6.37 -5.55 2 3 0 46 260.381 4 ↓
    Mid Mid (pH 6-8) 2.88 6.56 -42.97 3 3 1 48 261.389 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-cyclopentyl-N-ethyl-2-phenyl-propanamide (2S)-2-amino-N-cyclopentyl-N-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) 2.88 7.27 -7.44 2 3 0 46 260.381 4 ↓
    Mid Mid (pH 6-8) 2.88 6.7 -43.63 3 3 1 48 261.389 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-2-phenyl-propanamide (2R)-2-amino-N-(2-amino-2-oxo-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) 1.23 3.44 -13.02 4 5 0 89 289.379 5 ↓
    Mid Mid (pH 6-8) 1.23 3.14 -42.52 5 5 1 91 290.387 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-2-phenyl-propanamide (2S)-2-amino-N-(2-amino-2-oxo-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) 1.23 3.01 -11.91 4 5 0 89 289.379 5 ↓
    Mid Mid (pH 6-8) 1.23 3.24 -41.27 5 5 1 91 290.387 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-allyl-2-amino-N-cyclopentyl-2-phenyl-propanamide (2R)-N-allyl-2-amino-N-cyclopent…

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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) 3.15 6.2 -5.9 2 3 0 46 272.392 5 ↓
    Mid Mid (pH 6-8) 3.15 7 -42.57 3 3 1 48 273.4 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-allyl-2-amino-N-cyclopentyl-2-phenyl-propanamide (2S)-N-allyl-2-amino-N-cyclopent…

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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) 3.15 6.97 -7.27 2 3 0 46 272.392 5 ↓
    Mid Mid (pH 6-8) 3.15 7.24 -44.66 3 3 1 48 273.4 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.87 3.52 -5.46 3 4 0 67 276.38 5 ↓
    Mid Mid (pH 6-8) 1.87 3.73 -42.52 4 4 1 68 277.388 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.87 4.46 -6.7 3 4 0 67 276.38 5 ↓
    Mid Mid (pH 6-8) 1.87 3.52 -44.78 4 4 1 68 277.388 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(2R)-2-amino-2-phenyl-propanoyl]amino]cyclopentanecarboxylic 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) -0.41 5.26 -58.74 3 5 -1 95 275.328 4 ↓
    Mid Mid (pH 6-8) -0.41 5.49 -80.7 4 5 0 97 276.336 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(2S)-2-amino-2-phenyl-propanoyl]amino]cyclopentanecarboxylic 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) -0.41 5.2 -57.03 3 5 -1 95 275.328 4 ↓
    Mid Mid (pH 6-8) -0.41 5.49 -72.11 4 5 0 97 276.336 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(2R)-2-amino-2-phenyl-propanoyl]-cyclopentyl-amino]acetic 2-[[(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) 0.84 6.85 -41.69 2 5 -1 86 289.355 5 ↓
    Mid Mid (pH 6-8) 0.84 7.08 -29.36 3 5 0 88 290.363 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(2S)-2-amino-2-phenyl-propanoyl]-cyclopentyl-amino]acetic 2-[[(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) 0.84 7.35 -42.87 2 5 -1 86 289.355 5 ↓
    Mid Mid (pH 6-8) 0.84 7.1 -26.06 3 5 0 88 290.363 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-(1-methylcyclopentyl)-2-phenyl-propanamide (2R)-2-amino-N-(1-methylcyclopen…

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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) 2.70 4.61 -7.48 3 3 0 55 246.354 3 ↓
    Mid Mid (pH 6-8) 2.70 4.85 -51.1 4 3 1 57 247.362 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-(1-methylcyclopentyl)-2-phenyl-propanamide (2S)-2-amino-N-(1-methylcyclopen…

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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) 2.70 4.55 -6.33 3 3 0 55 246.354 3 ↓
    Mid Mid (pH 6-8) 2.70 4.85 -51.22 4 3 1 57 247.362 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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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) 1.72 3.67 -6.9 3 4 0 64 262.353 4 ↓
    Mid Mid (pH 6-8) 1.72 3.92 -46.72 4 4 1 66 263.361 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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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) 1.72 3.61 -6.57 3 4 0 64 262.353 4 ↓
    Mid Mid (pH 6-8) 1.72 3.93 -46.37 4 4 1 66 263.361 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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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) 1.72 3.23 -9.74 3 4 0 64 262.353 4 ↓
    Mid Mid (pH 6-8) 1.72 3.47 -54.57 4 4 1 66 263.361 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-[(1S,2S)-2-methoxycyclopentyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1S,2S)-2-methox…

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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) 1.72 3.16 -8.59 3 4 0 64 262.353 4 ↓
    Mid Mid (pH 6-8) 1.72 3.47 -54.98 4 4 1 66 263.361 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide (2S)-2-chloro-N-cyclopentyl-2-(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) 3.94 7.92 -9.33 1 3 0 38 295.81 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide (2R)-2-chloro-N-cyclopentyl-2-(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) 3.94 7.92 -9.36 1 3 0 38 295.81 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-chloro-N-cyclopentyl-2-(3-propoxyphenyl)acetamide (2S)-2-chloro-N-cyclopentyl-2-(3…

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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) 3.92 7.91 -7.64 1 3 0 38 295.81 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-chloro-N-cyclopentyl-2-(3-propoxyphenyl)acetamide (2R)-2-chloro-N-cyclopentyl-2-(3…

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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) 3.92 7.91 -7.67 1 3 0 38 295.81 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-cyclopentyl-N-methyl-acetamide 2-(3-aminophenyl)-N-cyclopentyl-…

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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 6.07 -9.68 2 3 0 46 232.327 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-cyclopentyl-N-ethyl-acetamide 2-(3-aminophenyl)-N-cyclopentyl-…

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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 6.96 -8.33 2 3 0 46 246.354 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-amino-2-oxo-ethyl)-2-(3-aminophenyl)-N-cyclopentyl-acetamide N-(2-amino-2-oxo-ethyl)-2-(3-ami…

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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) 0.65 3.26 -13.48 4 5 0 89 275.352 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-allyl-2-(3-aminophenyl)-N-cyclopentyl-acetamide N-allyl-2-(3-aminophenyl)-N-cycl…

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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) 2.56 7.56 -8.12 2 3 0 46 258.365 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)acetamide 2-(3-aminophenyl)-N-cyclopentyl-…

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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) 1.29 3.65 -9.88 3 4 0 67 262.353 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-cyclopentyl-N-(2-dimethylaminoethyl)acetamide 2-(3-aminophenyl)-N-cyclopentyl-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.95 8.12 -38.29 3 4 1 51 290.431 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-(1-methylcyclopentyl)acetamide 2-(3-aminophenyl)-N-(1-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) 2.12 4.71 -8.77 3 3 0 55 232.327 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-[(1S,2R)-2-methoxycyclopentyl]acetamide 2-(3-aminophenyl)-N-[(1S,2R)-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) 1.14 3.78 -8.44 3 4 0 64 248.326 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-[(1S,2S)-2-methoxycyclopentyl]acetamide 2-(3-aminophenyl)-N-[(1S,2S)-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) 1.14 3.34 -11.31 3 4 0 64 248.326 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-[(1R,2R)-2-methoxycyclopentyl]acetamide 2-(3-aminophenyl)-N-[(1R,2R)-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) 1.14 3.34 -11.36 3 4 0 64 248.326 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-[(1R,2S)-2-methoxycyclopentyl]acetamide 2-(3-aminophenyl)-N-[(1R,2S)-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) 1.14 3.75 -8.74 3 4 0 64 248.326 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[2-(3-chlorophenyl)acetyl]amino]cyclopentanecarboxylic 1-[[2-(3-chlorophenyl)acetyl]ami…

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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) 0.61 8.02 -59.07 1 4 -1 69 280.731 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[2-(3-chlorophenyl)acetyl]-cyclopentyl-amino]acetic 2-[[2-(3-chlorophenyl)acetyl]-cy…

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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) 1.85 9.74 -43.82 0 4 -1 60 294.758 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide 2-(3-chlorophenyl)-N-(1-cyanocyc…

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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) 3.13 6.88 -15.68 1 3 0 53 262.74 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-carbamothioylcyclopentyl)-2-(3-chlorophenyl)acetamide N-(1-carbamothioylcyclopentyl)-2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.26 5.53 -17.26 3 3 0 55 296.823 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)acetamide 2-(3-chlorophenyl)-N-cyclopentyl…

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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) 2.89 6.29 -9.33 1 3 0 41 281.783 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenyl)-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]acetamide 2-(3-chlorophenyl)-N-[1-[(E)-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) 2.36 3.22 -12.12 4 5 0 88 295.77 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-K44990087-001-01-9 BRD-K44990087-001-01-9

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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) 3.52 7.47 -9.3 1 2 0 29 271.282 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cyclopentyl-2-(4-fluorophenyl)-N-methyl-acetamide N-cyclopentyl-2-(4-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) 3.03 8.27 -9.59 0 2 0 20 235.302 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[2-(2,4-dichlorophenyl)acetyl]amino]cyclopentanecarboxylic 1-[[2-(2,4-dichlorophenyl)acetyl…

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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 8.42 -57.38 1 4 -1 69 315.176 4 ↓

    Analogs

    37810064
    37810064
    37817645
    37817645
    37824826
    37824826
    20154929
    20154929
    20154931
    20154931

    Draw Identity 99% 90% 80% 70%

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

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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) 1.94 6.01 -9.27 2 3 0 46 232.327 3 ↓

    Analogs

    20155694
    20155694
    35764827
    35764827

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-aminophenyl)-N-cyclopentyl-N-methyl-acetamide 2-(2-aminophenyl)-N-cyclopentyl-…

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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) 2.30 6.17 -9.33 2 3 0 46 232.327 3 ↓

    Analogs

    37830884
    37830884
    37830885
    37830885
    37832601
    37832601
    37832602
    37832602
    37834255
    37834255

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-chloro-N-cyclopentyl-N-methyl-2-phenyl-acetamide (2R)-2-chloro-N-cyclopentyl-N-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) 3.25 8.6 -8.45 0 2 0 20 251.757 3 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    Permalink

    //zinc12.docking.org/results/combination?ring.id=4227&filter.purchasability=annotated

    Embed Link to Results

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