| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 27 | No |
Popular Name: 4-[hydroxy-(2-thienyl)methylene]-5-(3-pyridyl)-1-(3-pyridylmethyl)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) | 1.20 | 6.25 | -60.95 | 0 | 6 | -1 | 86 | 376.417 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | -1.39 | -45.47 | 2 | 6 | 1 | 84 | 378.433 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | -1.39 | -56.66 | 2 | 6 | 1 | 84 | 378.433 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | -1.28 | -96.08 | 3 | 6 | 2 | 85 | 379.441 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.20 | 5.43 | -17.9 | 1 | 6 | 0 | 83 | 377.425 | 5 | ↓ |
