In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 33 | No |
Popular Name: (4E,5S)-1-benzyl-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(4-pyridyl)pyrrolidine-2,3-dione (4E,5S)-1-benzyl-4-[(3-butoxyphe…
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) | 3.96 | 11.93 | -42.81 | 0 | 6 | -1 | 83 | 441.507 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.96 | 10.8 | -16.64 | 1 | 6 | 0 | 80 | 442.515 | 9 | ↓ |