In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 33 | No |
Popular Name: (4Z,5S)-1-benzyl-5-(4-butoxyphenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione (4Z,5S)-1-benzyl-5-(4-butoxyphen…
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) | 3.98 | 11.61 | -52.09 | 0 | 6 | -1 | 83 | 441.507 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.98 | 10.31 | -18.02 | 1 | 6 | 0 | 80 | 442.515 | 9 | ↓ |