| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 14th, 2006 | 26 | No |
Popular Name: 4-[hydroxy-(4-pyridyl)methylene]-5-phenyl-1-thiazol-2-yl-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) | 1.84 | 7.28 | -52.59 | 0 | 6 | -1 | 86 | 362.39 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 7.32 | -14.47 | 1 | 6 | 0 | 83 | 363.398 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 7.72 | -14.49 | 0 | 6 | 0 | 80 | 363.398 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 7.59 | -54.67 | 2 | 6 | 1 | 85 | 364.406 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 8 | -47.05 | 1 | 6 | 1 | 81 | 364.406 | 4 | ↓ |
