| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2006 | 29 | No |
Popular Name: 4-[hydroxy-(2-thienyl)methylene]-1-(3-morpholinopropyl)-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) | 1.13 | 5.22 | -57.66 | 0 | 7 | -1 | 86 | 412.491 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | -1.5 | -49.7 | 2 | 7 | 1 | 84 | 414.507 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.55 | -2.36 | -50.81 | 1 | 7 | 1 | 81 | 414.507 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 7.55 | -76.24 | 1 | 7 | 0 | 87 | 413.499 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | -1.78 | -112.6 | 3 | 7 | 2 | 85 | 415.515 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | -1.38 | -101.85 | 3 | 7 | 2 | 85 | 415.515 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.55 | -2.25 | -102.43 | 2 | 7 | 2 | 82 | 415.515 | 7 | ↓ |
