In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 16th, 2007 | 32 | No |
Popular Name: 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-phenethyl-5H-pyrrol-2-one 4-(2,5-dimethylbenzoyl)-3-hydrox…
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) | 4.53 | 11.17 | -45.55 | 1 | 5 | -1 | 81 | 426.492 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.94 | -0.55 | -22.32 | 1 | 5 | 0 | 74 | 427.5 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.97 | -0.79 | -27.18 | 2 | 5 | 0 | 78 | 427.5 | 5 | ↓ |