| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 1st, 2009 | 25 | Yes |
Popular Name: 4-[[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile 4-[[4-(2-chlorobenzoyl)-1,4-diaz…
| 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) | 2.85 | 12.04 | -54.08 | 1 | 4 | 1 | 49 | 354.861 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 10.15 | -13.57 | 0 | 4 | 0 | 47 | 353.853 | 3 | ↓ |
