| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 32 | Yes |
Popular Name: 6-benzyl-3-[4-(2-pyridyl)piperazine-1-carbonyl]-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 6-benzyl-3-[4-(2-pyridyl)piperaz…
| 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) | 3.29 | 6.67 | -70.74 | 1 | 9 | 0 | 109 | 448.508 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 6.41 | -49.6 | 0 | 9 | -1 | 107 | 447.5 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6H-isothiazolo[4,3-d]pyrimidin-7-one](http://zinc12.docking.org/img/rings/564421.gif)
![6-benzyl-3-[4-(2-pyridyl)piperazine-1-carbonyl]isothiazolo[4,3-d]pyrimidin-7-one](http://zinc12.docking.org/img/rings/564494.gif)