In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 34 | No |
Popular Name: 5-(2,5-dimethoxyphenyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one 5-(2,5-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) | 3.58 | 7.31 | -69.45 | 0 | 8 | -1 | 97 | 468.526 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.03 | 6.72 | -29.66 | 1 | 8 | 0 | 95 | 469.534 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 0.18 | -23.07 | 0 | 8 | 0 | 91 | 469.534 | 11 | ↓ |