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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-(3-pyridyl)cyclopentanamine (1S,3R)-3-(3-pyridyl)cyclopentan…

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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) 0.21 3.12 -45.96 3 2 1 41 163.244 1 ↓
Lo Low (pH 4.5-6) 0.21 3.59 -93.81 4 2 2 42 164.252 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-(3-pyridyl)cyclopentanamine (1S,3S)-3-(3-pyridyl)cyclopentan…

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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) 0.21 3.12 -46.77 3 2 1 41 163.244 1 ↓
Lo Low (pH 4.5-6) 0.21 3.59 -90.37 4 2 2 42 164.252 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-(3-pyridyl)cyclopentanamine (1R,3R)-3-(3-pyridyl)cyclopentan…

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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) 0.21 3.13 -46.14 3 2 1 41 163.244 1 ↓
Lo Low (pH 4.5-6) 0.21 3.59 -92.18 4 2 2 42 164.252 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-(3-pyridyl)cyclopentanamine (1R,3S)-3-(3-pyridyl)cyclopentan…

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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) 0.21 3.1 -46.01 3 2 1 41 163.244 1 ↓
Lo Low (pH 4.5-6) 0.21 3.57 -92.66 4 2 2 42 164.252 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-(3-pyridyl)cyclopentanol (1S,3R)-3-(3-pyridyl)cyclopentanol

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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) 0.70 2.5 -5.88 1 2 0 33 163.22 1 ↓
Lo Low (pH 4.5-6) 0.70 2.97 -31.68 2 2 1 34 164.228 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-(3-pyridyl)cyclopentanol (1S,3S)-3-(3-pyridyl)cyclopentanol

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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) 0.70 2.49 -5.11 1 2 0 33 163.22 1 ↓
Lo Low (pH 4.5-6) 0.70 2.96 -33.49 2 2 1 34 164.228 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-(3-pyridyl)cyclopentanol (1R,3R)-3-(3-pyridyl)cyclopentanol

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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) 0.70 2.5 -5.21 1 2 0 33 163.22 1 ↓
Lo Low (pH 4.5-6) 0.70 2.96 -33.49 2 2 1 34 164.228 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-(3-pyridyl)cyclopentanol (1R,3S)-3-(3-pyridyl)cyclopentanol

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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) 0.70 2.49 -6.04 1 2 0 33 163.22 1 ↓
Lo Low (pH 4.5-6) 0.70 2.96 -30.53 2 2 1 34 164.228 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methyl-3-pyridyl)cyclopentanol 1-(6-methyl-3-pyridyl)cyclopentanol

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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) 1.56 3.32 -5.25 1 2 0 33 177.247 1 ↓
Lo Low (pH 4.5-6) 1.56 3.76 -30.93 2 2 1 34 178.255 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methyl-3-pyridyl)cyclopentanamine 1-(6-methyl-3-pyridyl)cyclopenta…

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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) 1.60 3.74 -46.15 3 2 1 41 177.271 1 ↓
Hi High (pH 8-9.5) 1.60 3.5 -3.74 2 2 0 39 176.263 1 ↓
Mid Mid (pH 6-8) 1.60 4.17 -98.25 4 2 2 42 178.279 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(6-methyl-3-pyridyl)cyclopentanol (1S,2S)-2-(6-methyl-3-pyridyl)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) 0.99 3.44 -5.72 1 2 0 33 177.247 1 ↓
Mid Mid (pH 6-8) 0.99 3.86 -25.55 2 2 1 34 178.255 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(6-methyl-3-pyridyl)cyclopentanol (1S,2R)-2-(6-methyl-3-pyridyl)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) 0.99 3.1 -5.09 1 2 0 33 177.247 1 ↓
Mid Mid (pH 6-8) 0.99 3.54 -29.88 2 2 1 34 178.255 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(6-methyl-3-pyridyl)cyclopentanol (1R,2S)-2-(6-methyl-3-pyridyl)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) 0.99 3.13 -4.97 1 2 0 33 177.247 1 ↓
Mid Mid (pH 6-8) 0.99 3.56 -30.36 2 2 1 34 178.255 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(6-methyl-3-pyridyl)cyclopentanol (1R,2R)-2-(6-methyl-3-pyridyl)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) 0.99 3.54 -5.66 1 2 0 33 177.247 1 ↓
Mid Mid (pH 6-8) 0.99 3.98 -25.42 2 2 1 34 178.255 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,2S)-2-chlorocyclopentyl]-2-methyl-pyridine 5-[(1S,2S)-2-chlorocyclopentyl]-…

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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) 2.22 6.65 -5.17 0 1 0 13 195.693 1 ↓
Lo Low (pH 4.5-6) 2.22 7.08 -25.81 1 1 1 14 196.701 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,2S)-2-chlorocyclopentyl]-2-methyl-pyridine 5-[(1R,2S)-2-chlorocyclopentyl]-…

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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) 2.22 6.95 -4.06 0 1 0 13 195.693 1 ↓
Lo Low (pH 4.5-6) 2.22 7.39 -30.57 1 1 1 14 196.701 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,2R)-2-chlorocyclopentyl]-2-methyl-pyridine 5-[(1S,2R)-2-chlorocyclopentyl]-…

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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) 2.22 6.97 -3.87 0 1 0 13 195.693 1 ↓
Lo Low (pH 4.5-6) 2.22 7.4 -31.22 1 1 1 14 196.701 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,2R)-2-chlorocyclopentyl]-2-methyl-pyridine 5-[(1R,2R)-2-chlorocyclopentyl]-…

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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) 2.22 6.81 -4.44 0 1 0 13 195.693 1 ↓
Lo Low (pH 4.5-6) 2.22 7.24 -28.68 1 1 1 14 196.701 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,2S)-2-bromocyclopentyl]-2-methyl-pyridine 5-[(1S,2S)-2-bromocyclopentyl]-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) 2.36 6.69 -4.82 0 1 0 13 240.144 1 ↓
Lo Low (pH 4.5-6) 2.36 7.13 -25.6 1 1 1 14 241.152 1 ↓

Analogs

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Popular Name: 5-[(1R,2S)-2-bromocyclopentyl]-2-methyl-pyridine 5-[(1R,2S)-2-bromocyclopentyl]-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) 2.36 7.05 -3.89 0 1 0 13 240.144 1 ↓
Lo Low (pH 4.5-6) 2.36 7.48 -30.52 1 1 1 14 241.152 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,2R)-2-bromocyclopentyl]-2-methyl-pyridine 5-[(1S,2R)-2-bromocyclopentyl]-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) 2.36 7.07 -3.69 0 1 0 13 240.144 1 ↓
Lo Low (pH 4.5-6) 2.36 7.5 -31.14 1 1 1 14 241.152 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,2R)-2-bromocyclopentyl]-2-methyl-pyridine 5-[(1R,2R)-2-bromocyclopentyl]-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) 2.36 6.87 -4.22 0 1 0 13 240.144 1 ↓
Lo Low (pH 4.5-6) 2.36 7.3 -28.47 1 1 1 14 241.152 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(6-methyl-3-pyridyl)cyclopentanamine (1S,2S)-2-(6-methyl-3-pyridyl)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) 0.50 4.02 -40.15 3 2 1 41 177.271 1 ↓
Mid Mid (pH 6-8) 0.50 4.45 -98.25 4 2 2 42 178.279 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(6-methyl-3-pyridyl)cyclopentanamine (1S,2R)-2-(6-methyl-3-pyridyl)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) 0.50 3.69 -45.44 3 2 1 41 177.271 1 ↓
Mid Mid (pH 6-8) 0.50 4.13 -96.23 4 2 2 42 178.279 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(6-methyl-3-pyridyl)cyclopentanamine (1R,2S)-2-(6-methyl-3-pyridyl)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) 0.50 3.74 -46.5 3 2 1 41 177.271 1 ↓
Mid Mid (pH 6-8) 0.50 4.16 -94.73 4 2 2 42 178.279 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(6-methyl-3-pyridyl)cyclopentanamine (1R,2R)-2-(6-methyl-3-pyridyl)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) 0.50 4.02 -40.12 3 2 1 41 177.271 1 ↓
Mid Mid (pH 6-8) 0.50 4.45 -98.25 4 2 2 42 178.279 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-(6-methyl-3-pyridyl)cyclopentanamine (1S,2S)-N-methyl-2-(6-methyl-3-p…

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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 5.94 -35.48 2 2 1 29 191.298 2 ↓
Mid Mid (pH 6-8) 1.40 6.37 -93 3 2 2 31 192.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-(6-methyl-3-pyridyl)cyclopentanamine (1S,2R)-N-methyl-2-(6-methyl-3-p…

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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 5.46 -41.27 2 2 1 29 191.298 2 ↓
Mid Mid (pH 6-8) 1.40 5.89 -89.72 3 2 2 31 192.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-methyl-2-(6-methyl-3-pyridyl)cyclopentanamine (1R,2S)-N-methyl-2-(6-methyl-3-p…

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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 5.47 -41.21 2 2 1 29 191.298 2 ↓
Mid Mid (pH 6-8) 1.40 5.9 -89.72 3 2 2 31 192.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-methyl-2-(6-methyl-3-pyridyl)cyclopentanamine (1R,2R)-N-methyl-2-(6-methyl-3-p…

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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 5.95 -36.76 2 2 1 29 191.298 2 ↓
Mid Mid (pH 6-8) 1.40 6.38 -92.63 3 2 2 31 192.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-(6-methyl-3-pyridyl)cyclopentanamine (1R,2R)-N-ethyl-2-(6-methyl-3-py…

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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) 1.78 6.77 -34.43 2 2 1 29 205.325 3 ↓
Mid Mid (pH 6-8) 1.78 7.2 -92.18 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-(6-methyl-3-pyridyl)cyclopentanamine (1S,2R)-N-ethyl-2-(6-methyl-3-py…

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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) 1.78 6.32 -39.8 2 2 1 29 205.325 3 ↓
Mid Mid (pH 6-8) 1.78 6.81 -90.98 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-(6-methyl-3-pyridyl)cyclopentanamine (1R,2S)-N-ethyl-2-(6-methyl-3-py…

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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) 1.78 6.32 -39.7 2 2 1 29 205.325 3 ↓
Mid Mid (pH 6-8) 1.78 6.81 -91 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-(6-methyl-3-pyridyl)cyclopentanamine (1S,2S)-N-ethyl-2-(6-methyl-3-py…

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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) 1.78 6.77 -35.52 2 2 1 29 205.325 3 ↓
Mid Mid (pH 6-8) 1.78 7.19 -91.86 3 2 2 31 206.333 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(6-methyl-3-pyridyl)-N-propyl-cyclopentanamine (1R,2R)-2-(6-methyl-3-pyridyl)-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) 2.28 7.53 -34.96 2 2 1 29 219.352 4 ↓
Mid Mid (pH 6-8) 2.28 7.96 -93.85 3 2 2 31 220.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(6-methyl-3-pyridyl)-N-propyl-cyclopentanamine (1S,2R)-2-(6-methyl-3-pyridyl)-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) 2.28 7.07 -40.61 2 2 1 29 219.352 4 ↓
Mid Mid (pH 6-8) 2.28 7.56 -92.68 3 2 2 31 220.36 4 ↓

Analogs

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Popular Name: (1R,2S)-2-(6-methyl-3-pyridyl)-N-propyl-cyclopentanamine (1R,2S)-2-(6-methyl-3-pyridyl)-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) 2.28 7.07 -40.59 2 2 1 29 219.352 4 ↓
Mid Mid (pH 6-8) 2.28 7.56 -92.71 3 2 2 31 220.36 4 ↓

Analogs

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Popular Name: (1S,2S)-2-(6-methyl-3-pyridyl)-N-propyl-cyclopentanamine (1S,2S)-2-(6-methyl-3-pyridyl)-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) 2.28 7.53 -36.14 2 2 1 29 219.352 4 ↓
Mid Mid (pH 6-8) 2.28 7.96 -93.55 3 2 2 31 220.36 4 ↓

Analogs

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Popular Name: 3-cyclopentylpyridin-4-amine 3-cyclopentylpyridin-4-amine

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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) 1.49 4.31 -28.75 3 2 1 40 163.244 1 ↓

Analogs

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Popular Name: 3-cyclopentylpyridin-2-amine 3-cyclopentylpyridin-2-amine

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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) 1.86 5.28 -28.45 3 2 1 40 163.244 1 ↓
Mid Mid (pH 6-8) 1.86 4.8 -3.82 2 2 0 39 162.236 1 ↓

Analogs

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Popular Name: 1-(4-amino-3-pyridyl)cyclopentanol 1-(4-amino-3-pyridyl)cyclopentanol

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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) 0.92 1.47 -30.78 4 3 1 60 179.243 1 ↓
Hi High (pH 8-9.5) 0.92 1.01 -5.51 3 3 0 59 178.235 1 ↓

Analogs

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Popular Name: 1-(2-amino-4-methyl-3-pyridyl)cyclopentanol 1-(2-amino-4-methyl-3-pyridyl)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) 1.66 2.37 -31.54 4 3 1 60 193.27 1 ↓
Mid Mid (pH 6-8) 1.66 1.91 -4.88 3 3 0 59 192.262 1 ↓

Analogs

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Popular Name: 3-cyclopentyl-4-methyl-pyridin-2-amine 3-cyclopentyl-4-methyl-pyridin-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) 2.23 5.96 -26.8 3 2 1 40 177.271 1 ↓
Hi High (pH 8-9.5) 2.23 5.48 -4.36 2 2 0 39 176.263 1 ↓

Analogs

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Popular Name: 1-(2-amino-5-methyl-3-pyridyl)cyclopentanol 1-(2-amino-5-methyl-3-pyridyl)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) 1.71 2.93 -29.35 4 3 1 60 193.27 1 ↓
Mid Mid (pH 6-8) 1.71 2.45 -5.04 3 3 0 59 192.262 1 ↓

Analogs

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Popular Name: 3-cyclopentyl-5-methyl-pyridin-2-amine 3-cyclopentyl-5-methyl-pyridin-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) 2.29 5.91 -27.38 3 2 1 40 177.271 1 ↓
Hi High (pH 8-9.5) 2.29 5.44 -3.87 2 2 0 39 176.263 1 ↓

Analogs

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Popular Name: 1-(2-amino-5-chloro-3-pyridyl)cyclopentanol 1-(2-amino-5-chloro-3-pyridyl)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) 2.10 2.29 -4.26 3 3 0 59 212.68 1 ↓

Analogs

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Popular Name: 5-chloro-3-cyclopentyl-pyridin-2-amine 5-chloro-3-cyclopentyl-pyridin-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) 2.68 5.3 -3.17 2 2 0 39 196.681 1 ↓
Lo Low (pH 4.5-6) 2.68 5.78 -29.72 3 2 1 40 197.689 1 ↓

Analogs

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Popular Name: 1-(5-fluoro-3-pyridyl)cyclopentanamine 1-(5-fluoro-3-pyridyl)cyclopenta…

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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) 1.86 3.19 -46.64 3 2 1 41 181.234 1 ↓
Hi High (pH 8-9.5) 1.86 2.95 -2.8 2 2 0 39 180.226 1 ↓

Analogs

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Popular Name: 1-(5-fluoro-3-pyridyl)cyclopentanol 1-(5-fluoro-3-pyridyl)cyclopentanol

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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) 1.82 2.78 -4.16 1 2 0 33 181.21 1 ↓

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