UCSF

ZINC04992770

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 16 Yes

Popular Name: 5-(2-Methoxyphenyl)isoxazole-3-carboxylic acid 5-(2-Methoxyphenyl)isoxazole-3-c…

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CAS Numbers: 668971-16-2 , [668971-16-2]

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) 2.16 1.72 -54.82 0 5 -1 75 218.188 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 194 - 196 Enamine Building Blocks
MP 194...196 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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