| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 31 | No |
Popular Name: 1-benzyl-4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(3-pyridyl)pyrrolidine-2,3-dione 1-benzyl-4-[(4-ethoxyphenyl)-hyd…
| 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) | 2.97 | 10.37 | -40.85 | 0 | 6 | -1 | 83 | 413.453 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 0.14 | -14.59 | 1 | 6 | 0 | 79 | 414.461 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 0.04 | -24.07 | 0 | 6 | 0 | 76 | 414.461 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.97 | 0.25 | -47.33 | 2 | 6 | 1 | 80 | 415.469 | 7 | ↓ |
