| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2006 | 27 | No |
Popular Name: 4-(1-hydroxyethylidene)-5-(3-nitrophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione 4-(1-hydroxyethylidene)-5-(3-nit…
| 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) | 0.04 | 5.05 | -101.11 | 2 | 9 | 0 | 126 | 374.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.55 | -1.8 | -139.55 | 3 | 9 | 2 | 121 | 376.413 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.04 | 4.06 | -67.45 | 3 | 9 | 1 | 123 | 375.405 | 6 | ↓ |
