UCSF

ZINC00810961

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 15 Yes

Popular Name: 5-(2-Chloro-phenyl)-isoxazole-3-carboxylic acid 5-(2-Chloro-phenyl)-isoxazole-3-…

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CAS Numbers: 334017-34-4 , 343374-44-7

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) 2.78 1.48 -52.43 0 4 -1 66 222.607 2 ↓

Vendor Notes

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

Activity (Go SEA)

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