| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2007 | 30 | No |
Popular Name: 3-hydroxy-1-(2-hydroxyethyl)-4-(4-nitrobenzoyl)-5-(3-nitrophenyl)-5H-pyrrol-2-one 3-hydroxy-1-(2-hydroxyethyl)-4-(…
| 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) | 1.64 | 6.5 | -52.95 | 1 | 11 | -1 | 172 | 412.334 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 5.45 | -35.85 | 2 | 11 | 0 | 169 | 413.342 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | -1.53 | -26.53 | 1 | 11 | 0 | 166 | 413.342 | 7 | ↓ |
