| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 32 | Yes |
| 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) | 1.63 | 7.47 | -24.83 | 1 | 9 | 0 | 108 | 449.492 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 7.93 | -54.43 | 2 | 9 | 1 | 109 | 450.5 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6H-isothiazolo[4,5-d]pyrimidin-7-one](http://zinc12.docking.org/img/rings/172743.gif)
![N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-keto-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide](http://zinc12.docking.org/img/rings/382727.gif)