| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2010 | 22 | Yes |
Popular Name: (2S)-2-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)acetonitrile (2S)-2-(azepan-1-yl)-2-(3,4,5-tr…
| 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) | 2.75 | 8.15 | -48.1 | 1 | 5 | 1 | 56 | 305.398 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 6.44 | -9.34 | 0 | 5 | 0 | 55 | 304.39 | 5 | ↓ |
