| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 17 | Yes |
Popular Name: 4-[4-(allyloxy)-3-ethoxybenzylidene]-2-{3-nitrophenyl}-1,3-oxazol-5(4H)-one 4-[4-(allyloxy)-3-ethoxybenzylid…
| 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) | 2.28 | 9.08 | -92.55 | 2 | 3 | 2 | 22 | 238.375 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 6.56 | -34.96 | 1 | 3 | 1 | 21 | 237.367 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 7.07 | -32.4 | 1 | 3 | 1 | 21 | 237.367 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
