In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2010 | 24 | Yes |
Popular Name: 3-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]benzamide 3-[4-(5-bromo-2-pyridyl)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) | 1.37 | 5.32 | -14.22 | 2 | 6 | 0 | 80 | 389.253 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 5.65 | -39.6 | 3 | 6 | 1 | 81 | 390.261 | 3 | ↓ |