In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 31 | Yes |
Popular Name: 4-fluoro-N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]benzamide 4-fluoro-N-[6-[4-[(3-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) | 4.07 | 13.03 | -48.22 | 2 | 5 | 1 | 50 | 423.487 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.07 | 13.39 | -106.36 | 3 | 5 | 2 | 51 | 424.495 | 5 | ↓ |