| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 18 | Yes |
Popular Name: (2S)-2-(azepan-1-yl)-2-(3,5-dimethylphenyl)acetonitrile (2S)-2-(azepan-1-yl)-2-(3,5-dime…
| 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) | 3.95 | 10.35 | -37.69 | 1 | 2 | 1 | 28 | 243.374 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.95 | 8.62 | -4.32 | 0 | 2 | 0 | 27 | 242.366 | 2 | ↓ |
