In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 33 | No |
Popular Name: 1-benzyl-4-(4-chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one 1-benzyl-4-(4-chlorobenzoyl)-5-(…
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) | 4.10 | 12.09 | -55.32 | 0 | 6 | -1 | 79 | 462.909 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.52 | 11.21 | -20.02 | 0 | 6 | 0 | 73 | 463.917 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.55 | 10.19 | -29.53 | 1 | 6 | 0 | 76 | 463.917 | 6 | ↓ |