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Analogs

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

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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) 2.57 4.97 -4.68 1 2 0 33 205.301 1 ↓
Lo Low (pH 4.5-6) 2.57 5.4 -30.98 2 2 1 34 206.309 1 ↓

Analogs

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Popular Name: 1-(6-methyl-3-pyridyl)cycloheptanamine 1-(6-methyl-3-pyridyl)cyclohepta…

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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 5.34 -40.63 3 2 1 41 205.325 1 ↓
Hi High (pH 8-9.5) 2.62 5.31 -3.54 2 2 0 39 204.317 1 ↓
Mid Mid (pH 6-8) 2.62 5.76 -96.09 4 2 2 42 206.333 1 ↓

Analogs

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Popular Name: (1S,2S)-2-(6-methyl-3-pyridyl)cycloheptanol (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) 2.00 4.61 -5.19 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.00 5.05 -25.85 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(6-methyl-3-pyridyl)cycloheptanol (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) 2.00 4.36 -5.14 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.00 4.79 -27.01 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(6-methyl-3-pyridyl)cycloheptanol (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) 2.00 4.36 -5.14 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.00 4.79 -27.02 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(6-methyl-3-pyridyl)cycloheptanol (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) 2.00 4.61 -5.17 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.00 5.05 -25.84 2 2 1 34 206.309 1 ↓

Analogs

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

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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) 3.23 7.86 -3.84 0 1 0 13 223.747 1 ↓
Lo Low (pH 4.5-6) 3.23 8.29 -29.57 1 1 1 14 224.755 1 ↓

Analogs

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

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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) 3.23 7.83 -4.32 0 1 0 13 223.747 1 ↓
Lo Low (pH 4.5-6) 3.23 8.27 -27.37 1 1 1 14 224.755 1 ↓

Analogs

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

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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) 3.23 7.83 -4.3 0 1 0 13 223.747 1 ↓
Lo Low (pH 4.5-6) 3.23 8.26 -27.36 1 1 1 14 224.755 1 ↓

Analogs

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

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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) 3.23 7.86 -3.86 0 1 0 13 223.747 1 ↓
Lo Low (pH 4.5-6) 3.23 8.29 -29.54 1 1 1 14 224.755 1 ↓

Analogs

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Popular Name: 5-[(1S,2S)-2-bromocycloheptyl]-2-methyl-pyridine 5-[(1S,2S)-2-bromocycloheptyl]-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) 3.37 7.79 -3.6 0 1 0 13 268.198 1 ↓
Lo Low (pH 4.5-6) 3.37 8.21 -30.68 1 1 1 14 269.206 1 ↓

Analogs

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Popular Name: 5-[(1R,2S)-2-bromocycloheptyl]-2-methyl-pyridine 5-[(1R,2S)-2-bromocycloheptyl]-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) 3.37 7.95 -4.05 0 1 0 13 268.198 1 ↓
Lo Low (pH 4.5-6) 3.37 8.38 -27.24 1 1 1 14 269.206 1 ↓

Analogs

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Popular Name: 5-[(1S,2R)-2-bromocycloheptyl]-2-methyl-pyridine 5-[(1S,2R)-2-bromocycloheptyl]-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) 3.37 7.95 -4.04 0 1 0 13 268.198 1 ↓
Lo Low (pH 4.5-6) 3.37 8.38 -27.26 1 1 1 14 269.206 1 ↓

Analogs

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Popular Name: 5-[(1R,2R)-2-bromocycloheptyl]-2-methyl-pyridine 5-[(1R,2R)-2-bromocycloheptyl]-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) 3.37 7.94 -3.7 0 1 0 13 268.198 1 ↓
Lo Low (pH 4.5-6) 3.37 8.36 -29.34 1 1 1 14 269.206 1 ↓

Analogs

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Popular Name: (1S,2S)-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 1.50 5.06 -44.02 3 2 1 41 205.325 1 ↓
Mid Mid (pH 6-8) 1.50 5.49 -101.12 4 2 2 42 206.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 1.50 4.82 -38.88 3 2 1 41 205.325 1 ↓
Mid Mid (pH 6-8) 1.50 5.26 -101.95 4 2 2 42 206.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 1.50 4.82 -38.84 3 2 1 41 205.325 1 ↓
Mid Mid (pH 6-8) 1.50 5.26 -101.94 4 2 2 42 206.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 1.50 5.05 -44.02 3 2 1 41 205.325 1 ↓
Mid Mid (pH 6-8) 1.50 5.48 -101.1 4 2 2 42 206.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 2.41 6.91 -38.41 2 2 1 29 219.352 2 ↓
Mid Mid (pH 6-8) 2.41 7.33 -95.19 3 2 2 31 220.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 2.41 6.65 -34.23 2 2 1 29 219.352 2 ↓
Mid Mid (pH 6-8) 2.41 7.09 -95.96 3 2 2 31 220.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-methyl-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 2.41 6.65 -34.21 2 2 1 29 219.352 2 ↓
Mid Mid (pH 6-8) 2.41 7.09 -95.97 3 2 2 31 220.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-methyl-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 2.41 6.91 -38.44 2 2 1 29 219.352 2 ↓
Mid Mid (pH 6-8) 2.41 7.33 -95.17 3 2 2 31 220.36 2 ↓

Analogs

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Popular Name: (1R,2R)-N-ethyl-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 2.79 7.74 -37.07 2 2 1 29 233.379 3 ↓
Mid Mid (pH 6-8) 2.79 8.17 -94.42 3 2 2 31 234.387 3 ↓

Analogs

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Popular Name: (1S,2R)-N-ethyl-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 2.79 7.58 -33.29 2 2 1 29 233.379 3 ↓
Mid Mid (pH 6-8) 2.79 8.12 -93.96 3 2 2 31 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 2.79 7.58 -33.23 2 2 1 29 233.379 3 ↓
Mid Mid (pH 6-8) 2.79 8.13 -94.01 3 2 2 31 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-(6-methyl-3-pyridyl)cycloheptanamine (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) 2.79 7.74 -37.04 2 2 1 29 233.379 3 ↓
Mid Mid (pH 6-8) 2.79 8.17 -94.43 3 2 2 31 234.387 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(6-methyl-3-pyridyl)-N-propyl-cycloheptanamine (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) 3.29 8.49 -37.7 2 2 1 29 247.406 4 ↓
Mid Mid (pH 6-8) 3.29 8.92 -96.12 3 2 2 31 248.414 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(6-methyl-3-pyridyl)-N-propyl-cycloheptanamine (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) 3.29 8.34 -33.79 2 2 1 29 247.406 4 ↓
Mid Mid (pH 6-8) 3.29 8.88 -95.71 3 2 2 31 248.414 4 ↓

Analogs

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Popular Name: (1R,2S)-2-(6-methyl-3-pyridyl)-N-propyl-cycloheptanamine (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) 3.29 8.34 -33.69 2 2 1 29 247.406 4 ↓
Mid Mid (pH 6-8) 3.29 8.89 -95.68 3 2 2 31 248.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(6-methyl-3-pyridyl)-N-propyl-cycloheptanamine (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) 3.29 8.49 -37.69 2 2 1 29 247.406 4 ↓
Mid Mid (pH 6-8) 3.29 8.92 -96.12 3 2 2 31 248.414 4 ↓

Analogs

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Popular Name: 3-[(1S,3R)-3-chlorocycloheptyl]pyridine 3-[(1S,3R)-3-chlorocycloheptyl]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) 2.95 7.51 -4.27 0 1 0 13 209.72 1 ↓
Lo Low (pH 4.5-6) 2.95 7.97 -33.05 1 1 1 14 210.728 1 ↓

Analogs

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Popular Name: 3-[(1R,3R)-3-chlorocycloheptyl]pyridine 3-[(1R,3R)-3-chlorocycloheptyl]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) 2.95 7.43 -4.1 0 1 0 13 209.72 1 ↓
Lo Low (pH 4.5-6) 2.95 7.89 -33.48 1 1 1 14 210.728 1 ↓

Analogs

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Popular Name: 3-[(1S,3S)-3-chlorocycloheptyl]pyridine 3-[(1S,3S)-3-chlorocycloheptyl]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) 2.95 7.43 -4.1 0 1 0 13 209.72 1 ↓
Lo Low (pH 4.5-6) 2.95 7.89 -33.47 1 1 1 14 210.728 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3S)-3-chlorocycloheptyl]pyridine 3-[(1R,3S)-3-chlorocycloheptyl]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) 2.95 7.46 -4.14 0 1 0 13 209.72 1 ↓
Lo Low (pH 4.5-6) 2.95 7.91 -33.45 1 1 1 14 210.728 1 ↓

Analogs

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Popular Name: 3-[(1S,3R)-3-chlorocycloheptyl]-5-methyl-pyridin-2-amine 3-[(1S,3R)-3-chlorocycloheptyl]-…

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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 7.51 -30.41 3 2 1 40 239.77 1 ↓
Hi High (pH 8-9.5) 3.15 7.04 -4.61 2 2 0 39 238.762 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3R)-3-chlorocycloheptyl]-5-methyl-pyridin-2-amine 3-[(1R,3R)-3-chlorocycloheptyl]-…

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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 7.48 -30.3 3 2 1 40 239.77 1 ↓
Hi High (pH 8-9.5) 3.15 7 -4.66 2 2 0 39 238.762 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3S)-3-chlorocycloheptyl]-5-methyl-pyridin-2-amine 3-[(1S,3S)-3-chlorocycloheptyl]-…

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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 7.46 -30.37 3 2 1 40 239.77 1 ↓
Hi High (pH 8-9.5) 3.15 6.99 -4.62 2 2 0 39 238.762 1 ↓

Analogs

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Popular Name: 3-[(1R,3S)-3-chlorocycloheptyl]-5-methyl-pyridin-2-amine 3-[(1R,3S)-3-chlorocycloheptyl]-…

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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 7.5 -30.25 3 2 1 40 239.77 1 ↓
Hi High (pH 8-9.5) 3.15 7.02 -4.68 2 2 0 39 238.762 1 ↓

Analogs

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Popular Name: 3-[(1S,3R)-3-chlorocycloheptyl]pyridin-2-amine 3-[(1S,3R)-3-chlorocycloheptyl]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) 2.72 6.87 -31.43 3 2 1 40 225.743 1 ↓
Mid Mid (pH 6-8) 2.72 6.39 -4.61 2 2 0 39 224.735 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3R)-3-chlorocycloheptyl]pyridin-2-amine 3-[(1R,3R)-3-chlorocycloheptyl]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) 2.72 6.83 -31.37 3 2 1 40 225.743 1 ↓
Mid Mid (pH 6-8) 2.72 6.36 -4.68 2 2 0 39 224.735 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3S)-3-chlorocycloheptyl]pyridin-2-amine 3-[(1S,3S)-3-chlorocycloheptyl]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) 2.72 6.83 -31.4 3 2 1 40 225.743 1 ↓
Mid Mid (pH 6-8) 2.72 6.35 -4.62 2 2 0 39 224.735 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3S)-3-chlorocycloheptyl]pyridin-2-amine 3-[(1R,3S)-3-chlorocycloheptyl]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) 2.72 6.86 -31.32 3 2 1 40 225.743 1 ↓
Mid Mid (pH 6-8) 2.72 6.39 -4.69 2 2 0 39 224.735 1 ↓

Analogs

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Popular Name: 1-(2-amino-3-pyridyl)cycloheptanol 1-(2-amino-3-pyridyl)cycloheptanol

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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 3.5 -4.5 3 3 0 59 206.289 1 ↓
Mid Mid (pH 6-8) 2.29 3.96 -31 4 3 1 60 207.297 1 ↓

Analogs

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

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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) 1.93 3.1 -31.38 4 3 1 60 207.297 1 ↓
Hi High (pH 8-9.5) 1.93 2.65 -4.84 3 3 0 59 206.289 1 ↓

Analogs

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Popular Name: 1-(2-amino-4-methyl-3-pyridyl)cycloheptanol 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) 2.67 4.56 -28.51 4 3 1 60 221.324 1 ↓
Mid Mid (pH 6-8) 2.67 4.1 -3.67 3 3 0 59 220.316 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-amino-5-methyl-3-pyridyl)cycloheptanol 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) 2.72 4.41 -29.85 4 3 1 60 221.324 1 ↓
Mid Mid (pH 6-8) 2.72 3.94 -4.4 3 3 0 59 220.316 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-amino-5-chloro-3-pyridyl)cycloheptanol 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) 3.12 3.79 -3.77 3 3 0 59 240.734 1 ↓

Analogs

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Popular Name: 5-[(1S,3R)-3-chlorocycloheptyl]-2-methyl-pyridine 5-[(1S,3R)-3-chlorocycloheptyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 8.12 -4.51 0 1 0 13 223.747 1 ↓
Lo Low (pH 4.5-6) 3.00 8.55 -30.34 1 1 1 14 224.755 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,3R)-3-chlorocycloheptyl]-2-methyl-pyridine 5-[(1R,3R)-3-chlorocycloheptyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 8.04 -4.37 0 1 0 13 223.747 1 ↓
Lo Low (pH 4.5-6) 3.00 8.47 -30.75 1 1 1 14 224.755 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,3S)-3-chlorocycloheptyl]-2-methyl-pyridine 5-[(1S,3S)-3-chlorocycloheptyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 8.04 -4.35 0 1 0 13 223.747 1 ↓
Lo Low (pH 4.5-6) 3.00 8.47 -30.73 1 1 1 14 224.755 1 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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