UCSF

ZINC11920179

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2008 17 Yes

Popular Name: {[5-(3,4-Dimethoxyphenyl)isoxazol-3-yl]-methyl}amine hydrochloride {[5-(3,4-Dimethoxyphenyl)isoxazo…

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CAS Numbers: 1185302-47-9 , [1185302-47-9]

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) 1.41 2.83 -51.59 3 5 1 72 235.263 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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