| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 24 | Yes |
Popular Name: 5,7-dimethyl-3-(3-phenethyl-1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrimidine 5,7-dimethyl-3-(3-phenethyl-1H-1…
| 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) | 2.48 | 12.61 | -14.86 | 1 | 7 | 0 | 85 | 319.372 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 11.96 | -50.04 | 0 | 7 | -1 | 83 | 318.364 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[1,2,4]triazolo[4,3-a]pyrimidine](http://zinc12.docking.org/img/rings/2180.gif)
![3-(3-phenethyl-1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrimidine](http://zinc12.docking.org/img/rings/586220.gif)