| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 14 | Yes |
Popular Name: (1S,2R)-2-[(2S)-2-methylazepan-1-yl]cyclopentanamine (1S,2R)-2-[(2S)-2-methylazepan-1…
| 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) | 1.84 | 5.82 | -111.48 | 4 | 2 | 2 | 32 | 198.354 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 3.67 | -37.61 | 3 | 2 | 1 | 31 | 197.346 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 5.64 | -24.85 | 3 | 2 | 1 | 30 | 197.346 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
