| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 24 | Yes |
Popular Name: 3-(azepane-1-carbonyl)-6-butyl-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 3-(azepane-1-carbonyl)-6-butyl-4…
| 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) | 3.85 | 4.14 | -51.66 | 0 | 7 | -1 | 91 | 349.436 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.40 | 6 | -11.35 | 1 | 7 | 0 | 88 | 350.444 | 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-(azepane-1-carbonyl)-6H-isothiazolo[4,3-d]pyrimidin-7-one](http://zinc12.docking.org/img/rings/564465.gif)