| 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 | 4.46 | -56.05 | 0 | 7 | -1 | 86 | 398.464 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | -1.83 | -48.53 | 2 | 7 | 1 | 84 | 400.48 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | -2.4 | -50.65 | 1 | 7 | 1 | 81 | 400.48 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 6.81 | -70.65 | 1 | 7 | 0 | 87 | 399.472 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | -1.85 | -115.64 | 3 | 7 | 2 | 85 | 401.488 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | -1.58 | -112.46 | 3 | 7 | 2 | 85 | 401.488 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.28 | -2.29 | -106.99 | 2 | 7 | 2 | 82 | 401.488 | 6 | ↓ |
