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Analogs

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Popular Name: (2R)-2-amino-N-(cyclopentylmethyl)-2-phenyl-propanamide (2R)-2-amino-N-(cyclopentylmethy…

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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) 2.64 4.74 -7.77 3 3 0 55 246.354 4 ↓
Mid Mid (pH 6-8) 2.64 4.99 -52.06 4 3 1 57 247.362 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-(cyclopentylmethyl)-2-phenyl-propanamide (2S)-2-amino-N-(cyclopentylmethy…

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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) 2.64 4.69 -6.64 3 3 0 55 246.354 4 ↓
Mid Mid (pH 6-8) 2.64 4.99 -52.07 4 3 1 57 247.362 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-(cyclopentylmethyl)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) 2.06 4.85 -9.23 3 3 0 55 232.327 4 ↓

Analogs

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Popular Name: N-[(1-hydroxycyclopentyl)methyl]-2-phenyl-acetamide N-[(1-hydroxycyclopentyl)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) 2.06 3.97 -10.05 2 3 0 49 233.311 4 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]acetamide 2-(4-fluorophenyl)-N-[(1-hydroxy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 4.04 -11.17 2 3 0 49 251.301 4 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]acetamide 2-(4-chlorophenyl)-N-[(1-hydroxy…

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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) 2.74 4.49 -10.49 2 3 0 49 267.756 4 ↓

Analogs

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Popular Name: N-[(1-hydroxycyclopentyl)methyl]-2-(4-methoxyphenyl)acetamide N-[(1-hydroxycyclopentyl)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) 2.12 3.27 -11.79 2 4 0 59 263.337 5 ↓

Analogs

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Popular Name: 2-(4-ethoxyphenyl)-N-[(1-hydroxycyclopentyl)methyl]acetamide 2-(4-ethoxyphenyl)-N-[(1-hydroxy…

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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) 2.49 4.19 -11.64 2 4 0 59 277.364 6 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(1-hydroxycyclopentyl)methyl]acetamide 2-(3,4-dimethoxyphenyl)-N-[(1-hy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 3.17 -14.59 2 5 0 68 293.363 6 ↓

Analogs

31986047
31986047

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Popular Name: N-(cyclopentylmethyl)-2-phenyl-acetamide N-(cyclopentylmethyl)-2-phenyl-a…

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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 6.99 -8.38 1 2 0 29 217.312 4 ↓

Analogs

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Popular Name: (2S)-2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methyl-butanamide (2S)-2-(4-chlorophenyl)-N-[[1-(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) 4.79 10.49 -43.92 2 3 1 34 337.915 6 ↓

Analogs

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Popular Name: (2R)-2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methyl-butanamide (2R)-2-(4-chlorophenyl)-N-[[1-(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) 4.79 10.62 -39.61 2 3 1 34 337.915 6 ↓

Analogs

42869293
42869293
42869296
42869296
42869298
42869298

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Popular Name: 2-(3-hydroxyphenyl)-N-[(1-methylcyclopentyl)methyl]acetamide 2-(3-hydroxyphenyl)-N-[(1-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) 2.75 4.79 -9.47 2 3 0 49 247.338 4 ↓

Analogs

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Popular Name: 2-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]acetamide 2-(4-aminophenyl)-N-[(1S)-1-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) 2.41 5.78 -9 3 3 0 55 246.354 4 ↓

Analogs

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Popular Name: 2-(4-aminophenyl)-N-[(1R)-1-cyclopentylethyl]acetamide 2-(4-aminophenyl)-N-[(1R)-1-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) 2.41 5.56 -9.12 3 3 0 55 246.354 4 ↓

Analogs

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Popular Name: 2-(2-aminophenyl)-N-[(1S)-1-cyclopentylethyl]acetamide 2-(2-aminophenyl)-N-[(1S)-1-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) 2.77 5.86 -8.78 3 3 0 55 246.354 4 ↓

Analogs

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Popular Name: 2-(2-aminophenyl)-N-[(1R)-1-cyclopentylethyl]acetamide 2-(2-aminophenyl)-N-[(1R)-1-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) 2.77 5.64 -8.94 3 3 0 55 246.354 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1S)-1-cyclopentylethyl]acetamide 2-(3-aminophenyl)-N-[(1S)-1-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) 2.39 5.77 -9.18 3 3 0 55 246.354 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1R)-1-cyclopentylethyl]acetamide 2-(3-aminophenyl)-N-[(1R)-1-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) 2.39 5.55 -9.3 3 3 0 55 246.354 4 ↓

Analogs

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Popular Name: 2-[4-(aminomethyl)phenyl]-N-[(1S)-1-cyclopentylethyl]acetamide 2-[4-(aminomethyl)phenyl]-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) 2.52 5.94 -45.33 4 3 1 57 261.389 5 ↓
Hi High (pH 8-9.5) 2.52 5.54 -9 3 3 0 55 260.381 5 ↓

Analogs

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Popular Name: 2-[4-(aminomethyl)phenyl]-N-[(1R)-1-cyclopentylethyl]acetamide 2-[4-(aminomethyl)phenyl]-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) 2.52 5.72 -45.38 4 3 1 57 261.389 5 ↓
Hi High (pH 8-9.5) 2.52 5.31 -9.13 3 3 0 55 260.381 5 ↓

Analogs

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Popular Name: (2R)-2-chloro-N-[(1S)-1-cyclopentylethyl]-2-phenyl-acetamide (2R)-2-chloro-N-[(1S)-1-cyclopen…

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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) 3.72 8.32 -7.98 1 2 0 29 265.784 4 ↓

Analogs

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Popular Name: (2R)-2-chloro-N-[(1R)-1-cyclopentylethyl]-2-phenyl-acetamide (2R)-2-chloro-N-[(1R)-1-cyclopen…

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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) 3.72 8.1 -8.07 1 2 0 29 265.784 4 ↓

Analogs

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Popular Name: (2S)-2-chloro-N-[(1S)-1-cyclopentylethyl]-2-phenyl-acetamide (2S)-2-chloro-N-[(1S)-1-cyclopen…

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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) 3.72 8.33 -7.96 1 2 0 29 265.784 4 ↓

Analogs

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Popular Name: (2S)-2-chloro-N-[(1R)-1-cyclopentylethyl]-2-phenyl-acetamide (2S)-2-chloro-N-[(1R)-1-cyclopen…

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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) 3.72 8.1 -8.02 1 2 0 29 265.784 4 ↓

Analogs

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Popular Name: (2R)-3-amino-N-[(1S)-1-cyclopentylethyl]-2-phenyl-propanamide (2R)-3-amino-N-[(1S)-1-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) 2.40 5.8 -53.26 4 3 1 57 261.389 5 ↓
Hi High (pH 8-9.5) 2.40 5.45 -8.45 3 3 0 55 260.381 5 ↓

Analogs

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Popular Name: (2R)-3-amino-N-[(1R)-1-cyclopentylethyl]-2-phenyl-propanamide (2R)-3-amino-N-[(1R)-1-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) 2.40 5.58 -53.86 4 3 1 57 261.389 5 ↓
Hi High (pH 8-9.5) 2.40 5.23 -8.49 3 3 0 55 260.381 5 ↓

Analogs

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Popular Name: (2S)-3-amino-N-[(1S)-1-cyclopentylethyl]-2-phenyl-propanamide (2S)-3-amino-N-[(1S)-1-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) 2.40 5.75 -45.65 4 3 1 57 261.389 5 ↓
Hi High (pH 8-9.5) 2.40 6.07 -7.87 3 3 0 55 260.381 5 ↓

Analogs

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Popular Name: (2S)-3-amino-N-[(1R)-1-cyclopentylethyl]-2-phenyl-propanamide (2S)-3-amino-N-[(1R)-1-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) 2.40 5.49 -45.8 4 3 1 57 261.389 5 ↓
Hi High (pH 8-9.5) 2.40 5.86 -7.98 3 3 0 55 260.381 5 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-2-phenyl-acetamide (2R)-2-amino-N-[(1S)-1-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) 0.65 4.94 -6.9 3 3 0 55 246.354 4 ↓
Mid Mid (pH 6-8) 0.65 5.27 -43.51 4 3 1 57 247.362 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-2-phenyl-acetamide (2R)-2-amino-N-[(1R)-1-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) 0.65 4.72 -7.06 3 3 0 55 246.354 4 ↓
Mid Mid (pH 6-8) 0.65 5.05 -43.29 4 3 1 57 247.362 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1S)-1-cyclopentylethyl]-2-phenyl-acetamide (2S)-2-amino-N-[(1S)-1-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) 0.65 4.93 -7.83 3 3 0 55 246.354 4 ↓
Mid Mid (pH 6-8) 0.65 5.26 -43.16 4 3 1 57 247.362 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1R)-1-cyclopentylethyl]-2-phenyl-acetamide (2S)-2-amino-N-[(1R)-1-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) 0.65 4.72 -7.8 3 3 0 55 246.354 4 ↓
Mid Mid (pH 6-8) 0.65 5.05 -43.59 4 3 1 57 247.362 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1S)-1-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) 2.97 5.56 -6.69 3 3 0 55 260.381 4 ↓
Mid Mid (pH 6-8) 2.97 5.9 -52.06 4 3 1 57 261.389 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1R)-1-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) 2.97 5.38 -6.73 3 3 0 55 260.381 4 ↓
Mid Mid (pH 6-8) 2.97 5.69 -52.04 4 3 1 57 261.389 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1S)-1-cyclopentylethyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1S)-1-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) 2.97 5.69 -7.77 3 3 0 55 260.381 4 ↓
Mid Mid (pH 6-8) 2.97 5.93 -51.74 4 3 1 57 261.389 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1R)-1-cyclopentylethyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1R)-1-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) 2.97 5.45 -7.82 3 3 0 55 260.381 4 ↓
Mid Mid (pH 6-8) 2.97 5.69 -52.4 4 3 1 57 261.389 4 ↓

Analogs

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Popular Name: (2R)-2-cyano-N-[(1S)-1-cyclopentylethyl]-2-phenyl-acetamide (2R)-2-cyano-N-[(1S)-1-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) 3.38 8.1 -9.26 1 3 0 53 256.349 4 ↓

Analogs

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Popular Name: (2R)-2-cyano-N-[(1R)-1-cyclopentylethyl]-2-phenyl-acetamide (2R)-2-cyano-N-[(1R)-1-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) 3.38 7.89 -9.45 1 3 0 53 256.349 4 ↓

Analogs

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Popular Name: (2S)-2-cyano-N-[(1S)-1-cyclopentylethyl]-2-phenyl-acetamide (2S)-2-cyano-N-[(1S)-1-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) 3.38 8.1 -9.44 1 3 0 53 256.349 4 ↓

Analogs

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Popular Name: (2S)-2-cyano-N-[(1R)-1-cyclopentylethyl]-2-phenyl-acetamide (2S)-2-cyano-N-[(1R)-1-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) 3.38 7.89 -9.34 1 3 0 53 256.349 4 ↓

Analogs

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Popular Name: 2-(4-cyanophenyl)-N-[(1S)-1-cyclopentylethyl]acetamide 2-(4-cyanophenyl)-N-[(1S)-1-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) 3.09 8.3 -11.01 1 3 0 53 256.349 4 ↓

Analogs

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Popular Name: 2-(4-cyanophenyl)-N-[(1R)-1-cyclopentylethyl]acetamide 2-(4-cyanophenyl)-N-[(1R)-1-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) 3.09 8.07 -11.12 1 3 0 53 256.349 4 ↓

Analogs

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Popular Name: 2-(4-carbamothioylphenyl)-N-[(1S)-1-cyclopentylethyl]acetamide 2-(4-carbamothioylphenyl)-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) 3.13 7.13 -18.73 3 3 0 55 290.432 5 ↓

Analogs

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Popular Name: 2-(4-carbamothioylphenyl)-N-[(1R)-1-cyclopentylethyl]acetamide 2-(4-carbamothioylphenyl)-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) 3.13 6.91 -18.88 3 3 0 55 290.432 5 ↓

Analogs

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Popular Name: (2R)-3-amino-N-[(1S)-1-cyclopentylethyl]-2-phenyl-3-thioxo-propanamide (2R)-3-amino-N-[(1S)-1-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) 2.52 6.99 -7.38 3 3 0 55 290.432 5 ↓

Analogs

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Popular Name: (2R)-3-amino-N-[(1R)-1-cyclopentylethyl]-2-phenyl-3-thioxo-propanamide (2R)-3-amino-N-[(1R)-1-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) 2.52 6.76 -7.29 3 3 0 55 290.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-amino-N-[(1S)-1-cyclopentylethyl]-2-phenyl-3-thioxo-propanamide (2S)-3-amino-N-[(1S)-1-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) 2.52 6.85 -7.3 3 3 0 55 290.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-amino-N-[(1R)-1-cyclopentylethyl]-2-phenyl-3-thioxo-propanamide (2S)-3-amino-N-[(1R)-1-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) 2.52 6.78 -7.31 3 3 0 55 290.432 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-2-(3-hydroxyphenyl)acetamide N-[(1S)-1-cyclopentylethyl]-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) 2.83 5.05 -9.64 2 3 0 49 247.338 4 ↓

Parameters Provided:

ring.id = 30444
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 = 30444 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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