| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2009 | 35 | No |
Popular Name: 4-(azepan-1-yl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-3-nitro-benzamide 4-(azepan-1-yl)-N-[4-(2-diethyla…
| 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) | 4.21 | 11.62 | -55.13 | 3 | 9 | 1 | 112 | 482.605 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.21 | 9.3 | -22.73 | 2 | 9 | 0 | 110 | 481.597 | 10 | ↓ |
