In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 30 | Yes |
Popular Name: N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridyl]-2-fluoro-benzamide N-[6-(4-benzyl-1,4-diazepan-1-yl…
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) | 3.88 | 12.98 | -47.17 | 2 | 5 | 1 | 50 | 405.497 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.88 | 13.34 | -101.88 | 3 | 5 | 2 | 51 | 406.505 | 5 | ↓ |