UCSF

ZINC66323260

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Substance Information

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

Popular Name: 1-Isopropyl-7-(methylthio)-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 1-Isopropyl-7-(methylthio)-1H-py…

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CAS Numbers: 76360-89-9 , [76360-89-9]

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) 1.41 6.03 -6.41 0 6 0 78 253.283 2 ↓

Vendor Notes

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

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Rings

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

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