| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 29 | No |
Popular Name: 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione 3-[2-[4-(2-fluorophenyl)piperazi…
None
| 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) | 2.70 | 8.42 | -8.82 | 0 | 5 | 0 | 53 | 393.462 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 10.61 | -55.5 | 1 | 5 | 0 | 54 | 394.47 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 8.4 | -10.11 | 0 | 5 | 0 | 53 | 393.462 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 10.63 | -40.89 | 1 | 5 | 0 | 54 | 394.47 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-phenyl-4-[2-(4-phenylpiperazino)ethylimino]cyclobutane-1,2-quinone](http://zinc12.docking.org/img/rings/178019.gif)