| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2010 | 22 | Yes |
Popular Name: 4-[3-(4-acetyl-1,4-diazepan-1-yl)propoxy]benzonitrile 4-[3-(4-acetyl-1,4-diazepan-1-yl…
| 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) | 1.57 | 9.17 | -50.89 | 1 | 5 | 1 | 58 | 302.398 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 7.36 | -12.37 | 0 | 5 | 0 | 57 | 301.39 | 5 | ↓ |
