UCSF

ZINC04992686

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 15 Yes

Popular Name: 5-Methyl-3-pyridin-3-yl-isoxazole-4-carboxylic acid 5-Methyl-3-pyridin-3-yl-isoxazol…

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CAS Numbers: 842958-54-7 , N/A , [842958-54-7]

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) 0.75 4.18 -52.16 0 5 -1 79 203.177 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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