In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2008 | 32 | Yes |
Popular Name: N-[6-[4-(3-cyanobenzoyl)piperazin-1-yl]-3-pyridyl]-4-methyl-benzamide N-[6-[4-(3-cyanobenzoyl)piperazi…
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) | 2.83 | 11.05 | -18.94 | 1 | 7 | 0 | 89 | 425.492 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.83 | 11.39 | -49.97 | 2 | 7 | 1 | 91 | 426.5 | 4 | ↓ |