| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 31 | Yes |
Popular Name: 2-chloro-N-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]benzamide 2-chloro-N-[6-[4-[(4-fluoropheny…
| 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) | 4.55 | 13.49 | -48.96 | 2 | 5 | 1 | 50 | 439.942 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.55 | 11.61 | -12.51 | 1 | 5 | 0 | 48 | 438.934 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.55 | 13.8 | -106.22 | 3 | 5 | 2 | 51 | 440.95 | 5 | ↓ |
