| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2010 | 22 | Yes |
Popular Name: (2S)-2-(azepan-1-yl)-2-(4-isopropoxy-3-methoxy-phenyl)acetonitrile (2S)-2-(azepan-1-yl)-2-(4-isopro…
| 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) | 3.51 | 9.75 | -44.16 | 1 | 4 | 1 | 47 | 303.426 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.51 | 8.06 | -7.52 | 0 | 4 | 0 | 45 | 302.418 | 5 | ↓ |
