| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 31 | No |
Popular Name: 3-[3-(4-cyclohexylpiperazin-1-yl)propylamino]-4-(4-isopropylphenyl)cyclobut-3-ene-1,2-dione 3-[3-(4-cyclohexylpiperazin-1-yl…
| 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) | 4.13 | 10.71 | -53.81 | 1 | 5 | 0 | 54 | 424.609 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 8.5 | -6.36 | 0 | 5 | 0 | 53 | 423.601 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 8.47 | -7.91 | 0 | 5 | 0 | 53 | 423.601 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.13 | 10.69 | -62.42 | 1 | 5 | 0 | 54 | 424.609 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[3-(4-cyclohexylpiperazino)propylimino]-4-phenyl-cyclobutane-1,2-quinone](http://zinc12.docking.org/img/rings/178025.gif)