| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2010 | 29 | Yes |
Popular Name: (4-benzyl-1,4-diazepan-1-yl)-[2-[(3S)-3-methylpiperazin-1-yl]-3-pyridyl]methanone (4-benzyl-1,4-diazepan-1-yl)-[2-…
| 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) | 1.60 | 11.43 | -94.75 | 3 | 6 | 2 | 57 | 395.551 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 10.17 | -45.74 | 2 | 6 | 1 | 53 | 394.543 | 4 | ↓ |
