| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 21 | Yes |
Popular Name: 1-Benzyl-7-(methylthio)-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 1-Benzyl-7-(methylthio)-1H-pyrim…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 686267-35-6 , [686267-35-6]
| 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) | 2.26 | 8.53 | -6.96 | 0 | 6 | 0 | 78 | 301.327 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![1H-pyrimido[4,5-d][1,3]oxazine-2,4-quinone](http://zinc12.docking.org/img/rings/286820.gif)
![1-benzylpyrimido[4,5-d][1,3]oxazine-2,4-quinone](http://zinc12.docking.org/img/rings/286822.gif)