| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 20 | No |
Popular Name: 2-[[isobutyl(methyl)amino]methyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione 2-[[isobutyl(methyl)amino]methyl…
| 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) | 3.20 | 12.39 | -36.28 | 1 | 4 | 1 | 27 | 307.468 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 10.26 | -11.6 | 0 | 4 | 0 | 25 | 306.46 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione](http://zinc12.docking.org/img/rings/123445.gif)