| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 28 | Yes |
Popular Name: 3-[[4-(piperidine-1-carbonyl)cyclohexyl]methylamino]-4-(1-piperidyl)cyclobut-3-ene-1,2-dione 3-[[4-(piperidine-1-carbonyl)cyc…
| 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) | -0.37 | 5.21 | -32.31 | 2 | 6 | 1 | 76 | 388.532 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.37 | 5.92 | -22.52 | 1 | 6 | 0 | 79 | 387.524 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[4-[[(4-piperidin-1-ium-1-ylidenecyclobut-2-en-1-ylidene)amino]methyl]cyclohexyl]-piperidino-methanone](http://zinc12.docking.org/img/rings/57399.gif)