In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 33 | Yes |
Popular Name: 4-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-1H-pyrido[3,2-e]pyrazine-2,3-dione 4-[[4-(4-phenylpiperazine-1-carb…
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) | 1.50 | 9.59 | -21.99 | 1 | 8 | 0 | 91 | 441.491 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 8.54 | -49.62 | 0 | 8 | -1 | 94 | 440.483 | 4 | ↓ |