| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 25 | Yes |
Popular Name: 4-[4-[3-(1,4-diazepan-1-yl)propoxy]phenyl]benzonitrile 4-[4-[3-(1,4-diazepan-1-yl)propo…
None
| 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) | 3.41 | 8.89 | -44.11 | 2 | 4 | 1 | 53 | 336.459 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 9.62 | -44.27 | 2 | 4 | 1 | 49 | 336.459 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 7.66 | -7.63 | 1 | 4 | 0 | 48 | 335.451 | 6 | ↓ |
