| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 31 | Yes |
| 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) | 0.76 | 8.47 | -33.49 | 3 | 6 | 1 | 81 | 430.613 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 6.74 | -20.18 | 2 | 6 | 0 | 88 | 429.605 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-cyclooctyl-4-[[(3-keto-4-piperidin-1-ium-1-ylidene-cyclobuten-1-yl)amino]methyl]cyclohexanecarboxamide](http://zinc12.docking.org/img/rings/57683.gif)