| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 28 | Yes |
Popular Name: ethyl ethyl
| 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) | 3.45 | 4.84 | -53.62 | 0 | 9 | -1 | 117 | 407.472 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.00 | 6.73 | -15.88 | 1 | 9 | 0 | 114 | 408.48 | 7 | ↓ |
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-(piperidine-1-carbonyl)-6H-isothiazolo[4,3-d]pyrimidin-7-one](http://zinc12.docking.org/img/rings/564439.gif)