| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 28 | Yes |
Popular Name: 6-ethyl-3-[4-(m-tolyl)piperazine-1-carbonyl]-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 6-ethyl-3-[4-(m-tolyl)piperazine…
| 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) | 3.39 | 4.47 | -48.4 | 0 | 8 | -1 | 94 | 398.468 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 6.35 | -12.11 | 1 | 8 | 0 | 91 | 399.476 | 3 | ↓ |
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)
![3-(4-phenylpiperazine-1-carbonyl)-6H-isothiazolo[4,3-d]pyrimidin-7-one](http://zinc12.docking.org/img/rings/564422.gif)