| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 26 | Yes |
Popular Name: N-benzyl-6-isobutyl-N-methyl-5,7-dioxo-4H-isothiazolo[4,3-d]pyrimidine-3-carboxamide N-benzyl-6-isobutyl-N-methyl-5,7…
| 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) | 3.52 | 4.82 | -52.91 | 0 | 7 | -1 | 91 | 371.442 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 6.59 | -13.34 | 1 | 7 | 0 | 88 | 372.45 | 5 | ↓ |
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)
![N-benzyl-7-keto-6H-isothiazolo[4,3-d]pyrimidine-3-carboxamide](http://zinc12.docking.org/img/rings/564485.gif)