| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 25 | Yes |
Popular Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-ethyl-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 3-(3,4-dihydro-1H-isoquinoline-2…
| 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) | 2.77 | 3.86 | -48.03 | 0 | 7 | -1 | 91 | 355.399 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 5.74 | -11.28 | 1 | 7 | 0 | 88 | 356.407 | 2 | ↓ |
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-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6H-isothiazolo[4,3-d]pyrimidin-7-one](http://zinc12.docking.org/img/rings/564420.gif)