| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 28 | No |
Popular Name: 4-[hydroxy-(2-thienyl)methylene]-5-(p-tolyl)-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) | 2.89 | 9.71 | -58.49 | 0 | 5 | -1 | 73 | 389.456 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 8.9 | -18.83 | 1 | 5 | 0 | 71 | 390.464 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 9.85 | -11.11 | 0 | 5 | 0 | 67 | 390.464 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 9.18 | -50.26 | 2 | 5 | 1 | 72 | 391.472 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.30 | 10.12 | -45.21 | 1 | 5 | 1 | 69 | 391.472 | 5 | ↓ |
