| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 30 | No |
Popular Name: 1-benzyl-4-[hydroxy-(3-methoxyphenyl)-methylene]-5-(4-pyridyl)pyrrolidine-2,3-dione 1-benzyl-4-[hydroxy-(3-methoxyph…
| 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) | 2.52 | 9.44 | -41.47 | 0 | 6 | -1 | 83 | 399.426 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 8.3 | -15.77 | 1 | 6 | 0 | 80 | 400.434 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 9 | -26.46 | 0 | 6 | 0 | 77 | 400.434 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.52 | 8.59 | -50.53 | 2 | 6 | 1 | 81 | 401.442 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 9.29 | -66.12 | 1 | 6 | 1 | 78 | 401.442 | 6 | ↓ |
