| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2011 | 26 | 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) | 2.93 | 12.92 | -35.54 | 1 | 5 | 1 | 36 | 373.546 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 10.5 | -15.55 | 0 | 5 | 0 | 35 | 372.538 | 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-[(2-benzylpyrrolidino)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-thione](http://zinc12.docking.org/img/rings/188872.gif)