| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2005 | 28 | No |
Popular Name: 4-[2-(4-chlorophenyl)sulfanylethylaminomethylene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one 4-[2-(4-chlorophenyl)sulfanyleth…
| 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) | 5.01 | 12.34 | -16.9 | 1 | 4 | 0 | 47 | 417.937 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.71 | -0.17 | -52.93 | 1 | 4 | 1 | 46 | 418.945 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-phenyl-4-[[2-(phenylthio)ethylamino]methylene]-2-pyrazolin-3-one](http://zinc12.docking.org/img/rings/247243.gif)