| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 28 | Yes |
Popular Name: N-[(4-chlorophenyl)methyl]-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-[(4-chlorophenyl)methyl]-2-[7-…
| 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) | 1.84 | 8.05 | -20.24 | 1 | 7 | 0 | 90 | 411.874 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 8.52 | -51.49 | 2 | 7 | 1 | 91 | 412.882 | 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-benzyl-2-[7-keto-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide](http://zinc12.docking.org/img/rings/382692.gif)