UCSF

ZINC01385094

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 15 Yes

Popular Name: 2-methyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid 2-methyl-3-oxo-3,4-dihydro-2H-py…

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CAS Number: 154365-45-4

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) -0.23 1.65 -49.73 1 6 -1 91 207.165 1 ↓
Lo Low (pH 4.5-6) -0.23 1.93 -53.68 2 6 0 93 208.173 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 181 - 183 KeyOrganics
MP 181-183° Matrix Scientific
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.