| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 30 | Yes |
Popular Name: 6-isobutyl-3-[4-(o-tolyl)piperazine-1-carbonyl]-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 6-isobutyl-3-[4-(o-tolyl)piperaz…
| 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) | 4.12 | 6.46 | -46.78 | 0 | 8 | -1 | 94 | 426.522 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 6.42 | -68.99 | 1 | 8 | 0 | 96 | 427.53 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.66 | 8.06 | -51.09 | 2 | 8 | 1 | 93 | 428.538 | 4 | ↓ |
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)