In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2006 | 25 | No |
Popular Name: 4-[hydroxy-(4-pyridyl)methylene]-1-(2-methoxyethyl)-5-phenyl-pyrrolidine-2,3-dione 4-[hydroxy-(4-pyridyl)methylene]…
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) | 1.07 | 5.82 | -55.69 | 0 | 6 | -1 | 83 | 337.355 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.49 | -1.09 | -12.63 | 0 | 6 | 0 | 76 | 338.363 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.07 | -0.75 | -50.92 | 2 | 6 | 1 | 80 | 339.371 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.07 | 5.06 | -11.18 | 1 | 6 | 0 | 80 | 338.363 | 6 | ↓ |