| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 26 | Yes |
Popular Name: 4-[[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile 4-[[4-(2,5-dichlorobenzoyl)-1,4-…
| 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) | 3.50 | 12.44 | -52.76 | 1 | 4 | 1 | 49 | 389.306 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 10.6 | -11.12 | 0 | 4 | 0 | 47 | 388.298 | 3 | ↓ |
