| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 26 | 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) | 0.85 | 5.39 | -61.43 | 4 | 8 | 1 | 105 | 358.47 | 5 | ↓ |
| Ref Reference (pH 7) | 0.85 | 5.43 | -61.51 | 4 | 8 | 1 | 105 | 358.47 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 4.09 | -11.38 | 3 | 8 | 0 | 101 | 357.462 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 4.05 | -13.1 | 3 | 8 | 0 | 101 | 357.462 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,4,5,6-tetrahydrocyclopenta[c]pyrazole](http://zinc12.docking.org/img/rings/7323.gif)
![6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepine](http://zinc12.docking.org/img/rings/1805.gif)
![N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide](http://zinc12.docking.org/img/rings/523580.gif)