UCSF

ZINC11920176

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2008 14 Yes

Popular Name: {[5-(4-Methylphenyl)isoxazol-3-yl]methyl}amine {[5-(4-Methylphenyl)isoxazol-3-y…

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CAS Numbers: 893639-11-7 , [893639-11-7]

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) 2.21 -0.65 -46.18 3 3 1 54 189.238 2 ↓

Vendor Notes

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

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