In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 33 | Yes |
Popular Name: N-[6-[4-(2-methylbenzoyl)piperazin-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide N-[6-[4-(2-methylbenzoyl)piperaz…
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) | 2.95 | 9.31 | -18.04 | 1 | 8 | 0 | 84 | 444.491 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.95 | 9.64 | -48.22 | 2 | 8 | 1 | 85 | 445.499 | 4 | ↓ |