UCSF

ZINC04992685

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 5-Methyl-3-p-tolyl-isoxazole-4-carboxylic acid 5-Methyl-3-p-tolyl-isoxazole-4-c…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 91569-59-4 , [91569-59-4]

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) 2.27 2.33 -51.67 0 4 -1 66 216.216 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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