| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 27 | No |
Popular Name: 4-[hydroxy-(2-thienyl)methylene]-5-phenyl-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) | 2.44 | 8.16 | -63.72 | 0 | 5 | -1 | 73 | 375.429 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 8.36 | -12.49 | 0 | 5 | 0 | 67 | 376.437 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 7.42 | -23.55 | 1 | 5 | 0 | 71 | 376.437 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 8.64 | -40 | 1 | 5 | 1 | 69 | 377.445 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.89 | 7.7 | -47.19 | 2 | 5 | 1 | 72 | 377.445 | 4 | ↓ |
