UCSF

ZINC66323266

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 17 Yes

Popular Name: 7-(methylthio)-1-(prop-2-ynyl)-1h-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 7-(methylthio)-1-(prop-2-ynyl)-1…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1253792-66-3 , [1253792-66-3]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 0.83 6.09 -7.84 0 6 0 78 249.251 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.