UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]cyclopentanone (2R)-2-[[4-(hydroxymethyl)-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.93 4.55 -34.24 2 3 1 42 212.313 3 ↓

Analogs

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Popular Name: (2S)-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]cyclopentanone (2S)-2-[[4-(hydroxymethyl)-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.93 4.55 -34.26 2 3 1 42 212.313 3 ↓

Analogs

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Popular Name: (2R)-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]cyclopentanone (2R)-2-[[(3S)-3-(hydroxymethyl)-…

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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) 0.93 4.53 -36.17 2 3 1 42 212.313 3 ↓

Analogs

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Popular Name: (2S)-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3S)-3-(hydroxymethyl)-…

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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) 0.93 4.38 -40.19 2 3 1 42 212.313 3 ↓

Analogs

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Popular Name: (2S)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3S,5R)-3,5-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 8.27 -37.33 1 2 1 22 210.341 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3S,5S)-3,5-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 8.27 -36.28 1 2 1 22 210.341 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3R,5R)-3,5-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 8.27 -36.31 1 2 1 22 210.341 2 ↓

Analogs

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Popular Name: (2R)-2-[(4-hydroxy-1-piperidyl)methyl]cyclopentanone (2R)-2-[(4-hydroxy-1-piperidyl)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) -0.18 3.75 -40.26 2 3 1 42 198.286 2 ↓
Hi High (pH 8-9.5) -0.18 1.7 -5.74 1 3 0 41 197.278 2 ↓

Analogs

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Popular Name: (2S)-2-[(4-hydroxy-1-piperidyl)methyl]cyclopentanone (2S)-2-[(4-hydroxy-1-piperidyl)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) -0.18 3.9 -36.56 2 3 1 42 198.286 2 ↓
Hi High (pH 8-9.5) -0.18 1.84 -7.89 1 3 0 41 197.278 2 ↓

Analogs

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Popular Name: (2S)-2-[(4-methyl-1-piperidyl)methyl]cyclopentanone (2S)-2-[(4-methyl-1-piperidyl)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) 1.94 7.7 -37.46 1 2 1 22 196.314 2 ↓

Analogs

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Popular Name: (2R)-2-[(4-methyl-1-piperidyl)methyl]cyclopentanone (2R)-2-[(4-methyl-1-piperidyl)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) 1.94 7.7 -37.49 1 2 1 22 196.314 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2R)-2-methyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2R)-2-methyl-1-piperid…

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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) 2.03 7.58 -34.62 1 2 1 22 196.314 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-methyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2S)-2-methyl-1-piperid…

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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) 2.03 7.74 -30.29 1 2 1 22 196.314 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3R)-3-methyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3R)-3-methyl-1-piperid…

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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 7.85 -31.89 1 2 1 22 196.314 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3S)-3-methyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3S)-3-methyl-1-piperid…

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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 7.68 -36.94 1 2 1 22 196.314 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-(2-hydroxyethyl)-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2S)-2-(2-hydroxyethyl)…

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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) 1.32 4.6 -36.88 2 3 1 42 226.34 4 ↓

Analogs

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Popular Name: (2S)-2-[[(2R)-2-(2-hydroxyethyl)-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2R)-2-(2-hydroxyethyl)…

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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) 1.32 5 -33.39 2 3 1 42 226.34 4 ↓

Analogs

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Popular Name: (2S)-2-[[(2R)-2-ethyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2R)-2-ethyl-1-piperidy…

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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 7.83 -31.54 1 2 1 22 210.341 3 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-ethyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2S)-2-ethyl-1-piperidy…

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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 8.36 -30.44 1 2 1 22 210.341 3 ↓

Analogs

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Popular Name: (2S)-2-[(4-methoxy-1-piperidyl)methyl]cyclopentanone (2S)-2-[(4-methoxy-1-piperidyl)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) 0.43 6.27 -36.12 1 3 1 31 212.313 3 ↓
Hi High (pH 8-9.5) 0.43 4.23 -7.13 0 3 0 30 211.305 3 ↓

Analogs

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Popular Name: (2R)-2-[(4-methoxy-1-piperidyl)methyl]cyclopentanone (2R)-2-[(4-methoxy-1-piperidyl)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) 0.43 6.27 -36.12 1 3 1 31 212.313 3 ↓
Hi High (pH 8-9.5) 0.43 4.22 -7.14 0 3 0 30 211.305 3 ↓

Analogs

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Popular Name: (2S)-2-[[4-(dimethylamino)-1-piperidyl]methyl]cyclopentanone (2S)-2-[[4-(dimethylamino)-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 6.21 -33.6 1 3 1 25 225.356 3 ↓
Mid Mid (pH 6-8) 1.21 8.28 -94.41 2 3 2 26 226.364 3 ↓
Mid Mid (pH 6-8) 1.21 5.67 -34.46 1 3 1 25 225.356 3 ↓

Analogs

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Popular Name: (2R)-2-[[4-(dimethylamino)-1-piperidyl]methyl]cyclopentanone (2R)-2-[[4-(dimethylamino)-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 6.21 -33.59 1 3 1 25 225.356 3 ↓
Mid Mid (pH 6-8) 1.21 8.28 -94.43 2 3 2 26 226.364 3 ↓
Mid Mid (pH 6-8) 1.21 5.84 -34.52 1 3 1 25 225.356 3 ↓

Analogs

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Popular Name: (2S)-2-[[(3R)-3-ethyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3R)-3-ethyl-1-piperidy…

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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 8.51 -32.48 1 2 1 22 210.341 3 ↓

Analogs

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Popular Name: (2S)-2-[[(3S)-3-ethyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3S)-3-ethyl-1-piperidy…

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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 8.34 -37.53 1 2 1 22 210.341 3 ↓

Analogs

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Popular Name: (2S)-2-[[(2R,3R)-2,3-dimethyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2R,3R)-2,3-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 7.89 -30.17 1 2 1 22 210.341 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2R,3S)-2,3-dimethyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2R,3S)-2,3-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 8.03 -35 1 2 1 22 210.341 2 ↓

Analogs

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Popular Name: (2S)-2-[(4-tert-butyl-1-piperidyl)methyl]cyclopentanone (2S)-2-[(4-tert-butyl-1-piperidy…

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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 9.28 -33.72 1 2 1 22 238.395 3 ↓

Analogs

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Popular Name: (2R)-2-[(4-tert-butyl-1-piperidyl)methyl]cyclopentanone (2R)-2-[(4-tert-butyl-1-piperidy…

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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 9.28 -33.71 1 2 1 22 238.395 3 ↓

Analogs

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Popular Name: (2S)-2-[(4-propyl-1-piperidyl)methyl]cyclopentanone (2S)-2-[(4-propyl-1-piperidyl)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) 3.18 9.29 -33.22 1 2 1 22 224.368 4 ↓

Analogs

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Popular Name: (2R)-2-[(4-propyl-1-piperidyl)methyl]cyclopentanone (2R)-2-[(4-propyl-1-piperidyl)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) 3.18 9.29 -33.23 1 2 1 22 224.368 4 ↓

Analogs

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Popular Name: (2S)-2-[(4-ethoxy-1-piperidyl)methyl]cyclopentanone (2S)-2-[(4-ethoxy-1-piperidyl)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) 0.81 7.06 -39.92 1 3 1 31 226.34 4 ↓
Hi High (pH 8-9.5) 0.81 5.32 -7.09 0 3 0 30 225.332 4 ↓

Analogs

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Popular Name: (2R)-2-[(4-ethoxy-1-piperidyl)methyl]cyclopentanone (2R)-2-[(4-ethoxy-1-piperidyl)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) 0.81 7.06 -39.95 1 3 1 31 226.34 4 ↓
Hi High (pH 8-9.5) 0.81 5.32 -7.1 0 3 0 30 225.332 4 ↓

Analogs

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Popular Name: (2S)-2-[[4-(dimethylaminomethyl)-1-piperidyl]methyl]cyclopentanone (2S)-2-[[4-(dimethylaminomethyl)…

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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) 1.59 9.22 -90.42 2 3 2 26 240.391 4 ↓
Hi High (pH 8-9.5) 1.59 7.17 -35.9 1 3 1 25 239.383 4 ↓

Analogs

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Popular Name: (2R)-2-[[4-(dimethylaminomethyl)-1-piperidyl]methyl]cyclopentanone (2R)-2-[[4-(dimethylaminomethyl)…

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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) 1.59 9.08 -98.87 2 3 2 26 240.391 4 ↓
Hi High (pH 8-9.5) 1.59 7.33 -35.74 1 3 1 25 239.383 4 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-(hydroxymethyl)-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2S)-2-(hydroxymethyl)-…

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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) 1.05 4.07 -31.22 2 3 1 42 212.313 3 ↓
Hi High (pH 8-9.5) 1.05 1.84 -5.32 1 3 0 41 211.305 3 ↓

Analogs

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Popular Name: (2S)-2-[[(2R)-2-(hydroxymethyl)-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2R)-2-(hydroxymethyl)-…

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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) 1.05 4.56 -32.72 2 3 1 42 212.313 3 ↓
Hi High (pH 8-9.5) 1.05 2.56 -8.04 1 3 0 41 211.305 3 ↓

Analogs

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Popular Name: (2R)-2-[[(3S)-3-hydroxy-1-piperidyl]methyl]cyclopentanone (2R)-2-[[(3S)-3-hydroxy-1-piperi…

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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) 0.55 3.89 -32.87 2 3 1 42 198.286 2 ↓
Hi High (pH 8-9.5) 0.55 1.82 -6.56 1 3 0 41 197.278 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3S)-3-hydroxy-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3S)-3-hydroxy-1-piperi…

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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) 0.55 3.74 -38.77 2 3 1 42 198.286 2 ↓
Hi High (pH 8-9.5) 0.55 1.67 -6.07 1 3 0 41 197.278 2 ↓

Analogs

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Popular Name: (2S)-2-[(4-ethyl-1-piperidyl)methyl]cyclopentanone (2S)-2-[(4-ethyl-1-piperidyl)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) 2.62 8.36 -37.99 1 2 1 22 210.341 3 ↓

Analogs

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Popular Name: (2R)-2-[(4-ethyl-1-piperidyl)methyl]cyclopentanone (2R)-2-[(4-ethyl-1-piperidyl)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) 2.62 8.53 -32.88 1 2 1 22 210.341 3 ↓

Analogs

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Popular Name: (2S)-2-[[(3R)-3-propoxy-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3R)-3-propoxy-1-piperi…

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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) 2.04 8.01 -33.03 1 3 1 31 240.367 5 ↓
Hi High (pH 8-9.5) 2.04 5.96 -5.55 0 3 0 30 239.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3S)-3-propoxy-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3S)-3-propoxy-1-piperi…

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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) 2.04 7.84 -39.18 1 3 1 31 240.367 5 ↓
Hi High (pH 8-9.5) 2.04 5.77 -5.02 0 3 0 30 239.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3R)-3-ethoxy-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3R)-3-ethoxy-1-piperid…

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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) 1.54 7.22 -32.98 1 3 1 31 226.34 4 ↓
Hi High (pH 8-9.5) 1.54 5.16 -5.66 0 3 0 30 225.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3S)-3-ethoxy-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(3S)-3-ethoxy-1-piperid…

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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) 1.54 7.05 -39.09 1 3 1 31 226.34 4 ↓
Hi High (pH 8-9.5) 1.54 4.98 -5.15 0 3 0 30 225.332 4 ↓

Analogs

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Popular Name: (2S)-2-[[(2R,4R)-2,4-dimethyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2R,4R)-2,4-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 8.19 -35.37 1 2 1 22 210.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R,4S)-2,4-dimethyl-1-piperidyl]methyl]cyclopentanone (2S)-2-[[(2R,4S)-2,4-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 8.03 -30.61 1 2 1 22 210.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]cyclopentanone (2S)-2-[(4-ethyl-4-methyl-1-pipe…

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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) 2.69 8.49 -38.5 1 2 1 22 224.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]cyclopentanone (2R)-2-[(4-ethyl-4-methyl-1-pipe…

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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) 2.69 8.49 -38.51 1 2 1 22 224.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4,4-diethyl-1-piperidyl)methyl]cyclopentanone (2S)-2-[(4,4-diethyl-1-piperidyl…

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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) 3.02 8.97 -39.05 1 2 1 22 238.395 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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