UCSF

ZINC66054355

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 18 Yes

Popular Name: 1-(6-iodo-7-methyl-2,3-dihydro-1h-pyrido[2,3-b]-[1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one 1-(6-iodo-7-methyl-2,3-dihydro-1…

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CAS Numbers: 1261365-43-8 , [1261365-43-8]

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) 3.84 4.13 -10.96 0 4 0 42 360.195 1 ↓

Vendor Notes

Note Type Comments Provided By
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.