| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2006 | 27 | No |
Popular Name: 4-[hydroxy-(2-thienyl)methylene]-5-(4-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) | 1.15 | 7.18 | -56.14 | 0 | 6 | -1 | 86 | 376.417 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 7.11 | -22.8 | 1 | 6 | 0 | 83 | 377.425 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 7.39 | -47.66 | 2 | 6 | 1 | 85 | 378.433 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 7.39 | -61.88 | 2 | 6 | 1 | 85 | 378.433 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 7.67 | -99.24 | 3 | 6 | 2 | 86 | 379.441 | 4 | ↓ |
