| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 17 | No |
Popular Name: 2-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-thione 2-[[methyl(propyl)amino]methyl]-…
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| 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) | 1.60 | 10.25 | -36.38 | 1 | 4 | 1 | 27 | 255.411 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 7.77 | -11.99 | 0 | 4 | 0 | 26 | 254.403 | 4 | ↓ |
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)