| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2007 | 30 | No |
Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(3-pyridyl)pyrrolidine-2,3-dione 4-[(4-butoxyphenyl)-hydroxy-meth…
| 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) | 2.62 | 7.75 | -58.88 | 0 | 7 | -1 | 92 | 409.462 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | -1.03 | -14.82 | 0 | 7 | 0 | 85 | 410.47 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | -0.56 | -57.56 | 2 | 7 | 1 | 90 | 411.478 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | -0.92 | -46.49 | 1 | 7 | 1 | 87 | 411.478 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.62 | 6.94 | -15.02 | 1 | 7 | 0 | 89 | 410.47 | 10 | ↓ |
