| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 21 | No |
Popular Name: 1-(azocan-1-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 1-(azocan-1-ylmethyl)-5,7-dimeth…
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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) | 2.49 | 12.19 | -55.57 | 1 | 5 | 1 | 40 | 306.459 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.49 | 11.5 | -26.3 | 0 | 5 | 0 | 38 | 305.451 | 2 | ↓ |
![1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione](http://zinc12.docking.org/img/rings/123206.gif)
![1-(azocan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione](http://zinc12.docking.org/img/rings/123486.gif)
