| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 27 | Yes |
Popular Name: 6-[(3-ethoxyphenyl)methyl]-3-(2-pyridyl)-4H-isothiazolo[4,5-d]pyrimidine-5,7-dione 6-[(3-ethoxyphenyl)methyl]-3-(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) | 2.91 | 5.27 | -47.37 | 0 | 7 | -1 | 93 | 379.421 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.91 | 5.74 | -37.36 | 1 | 7 | 0 | 94 | 380.429 | 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)
![6-benzyl-3-(2-pyridyl)isothiazolo[4,5-d]pyrimidin-7-one](http://zinc12.docking.org/img/rings/564530.gif)