In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2006 | 27 | No |
Popular Name: 4-[hydroxy-(4-pyridyl)methylene]-1-(3-methoxypropyl)-5-(p-tolyl)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) | 1.79 | 7.26 | -56.67 | 0 | 6 | -1 | 83 | 365.409 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.79 | -0.26 | -50.84 | 2 | 6 | 1 | 80 | 367.425 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.21 | -0.49 | -11.61 | 0 | 6 | 0 | 76 | 366.417 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.79 | 6.51 | -12.95 | 1 | 6 | 0 | 80 | 366.417 | 7 | ↓ |