| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 31 | No |
Popular Name: 3-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-(4-isopropylphenyl)cyclobut-3-ene-1,2-dione 3-[2-(4-benzylpiperazin-1-yl)eth…
| 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) | 3.35 | 10.49 | -73.23 | 1 | 5 | 0 | 54 | 418.561 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 10.47 | -84.74 | 1 | 5 | 0 | 54 | 418.561 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 8.23 | -7.5 | 0 | 5 | 0 | 53 | 417.553 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 8.21 | -8.14 | 0 | 5 | 0 | 53 | 417.553 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[2-(4-benzylpiperazino)ethylimino]-4-phenyl-cyclobutane-1,2-quinone](http://zinc12.docking.org/img/rings/178020.gif)