| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 26 | Yes |
Popular Name: 4-[[4-(2,4-dimethylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile 4-[[4-(2,4-dimethylbenzoyl)-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) | 3.04 | 12.74 | -52.52 | 1 | 4 | 1 | 49 | 348.47 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 10.87 | -11.07 | 0 | 4 | 0 | 47 | 347.462 | 3 | ↓ |
