In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2006 | 30 | No |
Popular Name: 1-butyl-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(p-tolyl)methylene]-pyrrolidine-2,3-dione 1-butyl-5-(3,4-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) | 3.91 | 9.55 | -60.94 | 0 | 6 | -1 | 79 | 408.474 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.91 | 8.72 | -16.65 | 1 | 6 | 0 | 76 | 409.482 | 8 | ↓ |