| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 21 | Yes |
Popular Name: (1R,2R,4S)-2-(azepan-1-yl)-4-phenyl-cyclohexanecarbonitrile (1R,2R,4S)-2-(azepan-1-yl)-4-phe…
| 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) | 4.64 | 11.84 | -47.99 | 1 | 2 | 1 | 28 | 283.439 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.64 | 10.67 | -5.54 | 0 | 2 | 0 | 27 | 282.431 | 2 | ↓ |
