| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2011 | 24 | No |
None
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) | 2.63 | 13.67 | -37.66 | 1 | 4 | 1 | 27 | 347.483 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 11.18 | -14.31 | 0 | 4 | 0 | 26 | 346.475 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepine-3-thione](http://zinc12.docking.org/img/rings/123455.gif)
![2-[[benzyl(cyclopropyl)amino]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-thione](http://zinc12.docking.org/img/rings/187707.gif)