In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2008 | 27 | No |
Popular Name: (4E,5S)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylene]pyrrolidine-2,3-dione (4E,5S)-5-(2,4-dimethoxyphenyl)-…
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) | 2.23 | 3.23 | -59.01 | 1 | 7 | -1 | 97 | 368.365 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 4.7 | -12.28 | 2 | 7 | 0 | 94 | 369.373 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 5.1 | -12 | 1 | 7 | 0 | 91 | 369.373 | 6 | ↓ |