| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 31 | No |
Popular Name: (4E)-4-[[2,5-dimethyl-1-(6-quinolyl)pyrrol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one (4E)-4-[[2,5-dimethyl-1-(6-quino…
| 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) | 3.68 | 13.26 | -16.26 | 0 | 5 | 0 | 53 | 406.489 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | 13.54 | -51.2 | 1 | 5 | 1 | 54 | 407.497 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-phenyl-4-[[1-(6-quinolyl)pyrrol-3-yl]methylene]-2-pyrazolin-3-one](http://zinc12.docking.org/img/rings/230258.gif)