In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 33 | Yes |
Popular Name: N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridyl]-1,3-benzodioxole-5-carboxamide N-[6-(4-benzoyl-1,4-diazepan-1-y…
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) | 2.82 | 9.74 | -18.87 | 1 | 8 | 0 | 84 | 444.491 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 10.06 | -50.81 | 2 | 8 | 1 | 85 | 445.499 | 4 | ↓ |