In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2009 | 23 | Yes |
Popular Name: 4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide 4-bromo-N-[6-(3-oxopiperazin-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) | 2.48 | 3.2 | -16.86 | 2 | 6 | 0 | 74 | 375.226 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 3.64 | -49.66 | 3 | 6 | 1 | 76 | 376.234 | 3 | ↓ |