| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2006 | 28 | No |
Popular Name: 4-[hydroxy-(2-thienyl)methylene]-1-(2-morpholinoethyl)-5-(4-pyridyl)pyrrolidine-2,3-dione 4-[hydroxy-(2-thienyl)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) | 0.86 | 4.03 | -57.17 | 0 | 7 | -1 | 86 | 398.464 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | -1.86 | -45.49 | 2 | 7 | 1 | 84 | 400.48 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | -2.63 | -48.79 | 1 | 7 | 1 | 81 | 400.48 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 6.37 | -67.98 | 1 | 7 | 0 | 87 | 399.472 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | -2.14 | -119.41 | 3 | 7 | 2 | 85 | 401.488 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | -1.75 | -108.8 | 3 | 7 | 2 | 85 | 401.488 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.28 | -2.52 | -112.56 | 2 | 7 | 2 | 82 | 401.488 | 6 | ↓ |
