UCSF

ZINC01385077

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 17 Yes

Popular Name: ethyl 2-methyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-2-carboxylate ethyl 2-methyl-3-oxo-3,4-dihydro…

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CAS Number: 154365-38-5

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) 0.76 3.48 -11.26 1 6 0 78 236.227 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 143 - 145 KeyOrganics
MP 143-145° Matrix Scientific
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.