| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 22 | Yes |
Popular Name: 3-[[[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-methyl-amino]methyl]benzonitrile 3-[[[(1S)-2-(azepan-1-yl)-1-meth…
| 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) | 2.57 | 10.48 | -42.43 | 1 | 4 | 1 | 49 | 300.426 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 8.04 | -11.42 | 0 | 4 | 0 | 47 | 299.418 | 4 | ↓ |
