In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 34 | Yes |
Popular Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-benzamide N-[6-[4-(1,3-benzodioxole-5-carb…
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) | 3.24 | 10.43 | -15.33 | 1 | 8 | 0 | 84 | 458.518 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.24 | 10.72 | -45.65 | 2 | 8 | 1 | 85 | 459.526 | 4 | ↓ |