| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 12 | No |
Popular Name: (3S)-7-methyl-3-sulfanyl-3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (3S)-7-methyl-3-sulfanyl-3H-[1,2…
| 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) | 0.65 | 2.57 | -6.87 | 0 | 5 | 0 | 60 | 182.208 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 3.11 | -43.62 | 0 | 5 | -1 | 60 | 181.2 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one](http://zinc12.docking.org/img/rings/595024.gif)