In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 34 | Yes |
Popular Name: 4-[[3-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one 4-[[3-(4-benzylpiperazine-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) | 3.29 | 11.14 | -14.57 | 0 | 6 | 0 | 53 | 455.558 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 13.35 | -48.03 | 1 | 6 | 1 | 54 | 456.566 | 5 | ↓ |