In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2008 | 28 | Yes |
Popular Name: 4-[[4-(4-oxo3H-phthalazine-1-carbonyl)piperazin-1-yl]methyl]benzonitrile 4-[[4-(4-oxo3H-phthalazine-1-car…
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) | 1.90 | 6.15 | -13.35 | 1 | 7 | 0 | 93 | 373.416 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 4.61 | -48.05 | 0 | 7 | -1 | 96 | 372.408 | 3 | ↓ |