| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 29 | Yes |
Popular Name: 2-[5-ethyl-7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide 2-[5-ethyl-7-oxo-3-(4-pyridyl)is…
| 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) | 2.29 | 8.38 | -20.73 | 1 | 7 | 0 | 90 | 409.446 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.29 | 8.84 | -50.9 | 2 | 7 | 1 | 91 | 410.454 | 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)
![2-[7-keto-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]-N-phenyl-acetamide](http://zinc12.docking.org/img/rings/382688.gif)