UCSF

ZINC66323284

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 21 Yes

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

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CAS Numbers: 1253790-88-3 , [1253790-88-3]

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) 1.47 8.89 -7.94 0 6 0 78 279.255 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.