In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 18th, 2006 | 30 | No |
Popular Name: 5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one 5-(3,4-dimethoxyphenyl)-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) | 2.46 | 7.04 | -64.85 | 0 | 7 | -1 | 88 | 410.446 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 7.02 | -25.81 | 0 | 7 | 0 | 82 | 411.454 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.90 | 6.04 | -31.27 | 1 | 7 | 0 | 85 | 411.454 | 7 | ↓ |