| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 34 | Yes |
Popular Name: ethyl ethyl
| 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) | 0.07 | 9.37 | -41.02 | 3 | 8 | 1 | 108 | 468.574 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 7.61 | -27.92 | 2 | 8 | 0 | 114 | 467.566 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-[[(3-keto-4-piperidin-1-ium-1-ylidene-cyclobuten-1-yl)amino]methyl]-N-phenyl-cyclohexanecarboxamide](http://zinc12.docking.org/img/rings/57363.gif)