In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2007 | 30 | No |
Popular Name: 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one 1-butyl-4-(4-chlorobenzoyl)-5-(2…
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) | 4.54 | 11.26 | -38.28 | 0 | 6 | -1 | 79 | 428.892 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.95 | 8.47 | -17.13 | 0 | 6 | 0 | 73 | 429.9 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.98 | 7.7 | -26.74 | 1 | 6 | 0 | 76 | 429.9 | 7 | ↓ |