In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2008 | 25 | No |
Popular Name: (4E,5R)-1-(2-hydroxyethyl)-4-[hydroxy-(p-tolyl)methylene]-5-phenyl-pyrrolidine-2,3-dione (4E,5R)-1-(2-hydroxyethyl)-4-[hy…
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) | 2.19 | 5.79 | -63.03 | 1 | 5 | -1 | 81 | 336.367 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 5.82 | -13.17 | 1 | 5 | 0 | 75 | 337.375 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 5.46 | -13.13 | 2 | 5 | 0 | 78 | 337.375 | 5 | ↓ |