| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 30 | Yes |
None
| 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) | -0.18 | 4.9 | -36.01 | 3 | 6 | 1 | 85 | 424.546 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 5.68 | -19.3 | 2 | 6 | 0 | 88 | 423.538 | 5 | ↓ |
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-(2-thenyl)benzamide](http://zinc12.docking.org/img/rings/55254.gif)