UCSF

ZINC19093195

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 14 Yes

Popular Name: {[5-(2-Chlorophenyl)isoxazol-3-yl]methyl}amine hydrochloride {[5-(2-Chlorophenyl)isoxazol-3-y…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1160245-59-9 , [1160245-59-9]

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) 2.39 4.12 -47.68 3 3 1 54 209.656 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% )