UCSF

ZINC04498606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 16 Yes

Popular Name: 5-(3,4-Dichloro-phenyl)-isoxazole-3-carboxylic acid 5-(3,4-Dichloro-phenyl)-isoxazol…

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CAS Numbers: 876710-49-5 , [876710-49-5]

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) 3.44 1.35 -48.02 0 4 -1 66 257.052 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.