| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 14th, 2008 | 24 | No |
Popular Name: 1-[(4-fluorophenyl)methyl]-4-(5-nitro-2-pyridyl)-1,4-diazepane 1-[(4-fluorophenyl)methyl]-4-(5-…
| 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) | 2.99 | 11.64 | -51.81 | 1 | 6 | 1 | 66 | 331.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 9.81 | -8.69 | 0 | 6 | 0 | 65 | 330.363 | 4 | ↓ |
