| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 33 | No |
Popular Name: N-[6-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-2-phenyl-acetamide N-[6-[4-[(4-nitrophenyl)methyl]-…
| 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) | 3.81 | 14.31 | -59.87 | 2 | 8 | 1 | 95 | 446.531 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 12.44 | -15.38 | 1 | 8 | 0 | 94 | 445.523 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 14.62 | -119.33 | 3 | 8 | 2 | 97 | 447.539 | 7 | ↓ |
