In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 31st, 2006 | 29 | No |
Popular Name: 4-[(3,4-dimethoxyphenyl)-hydroxy-methylene]-5-(4-tert-butylphenyl)-pyrrolidine-2,3-dione 4-[(3,4-dimethoxyphenyl)-hydroxy…
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) | 3.49 | 7.39 | -55.49 | 1 | 6 | -1 | 88 | 394.447 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.90 | -0.85 | -12.8 | 1 | 6 | 0 | 81 | 395.455 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 5.49 | -27.39 | 2 | 6 | 0 | 85 | 395.455 | 5 | ↓ |