UCSF

ZINC08729810

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 16 Yes

Popular Name: 3-(3,5-dimethoxyphenyl)-5-isoxazolamine 3-(3,5-dimethoxyphenyl)-5-isoxaz…

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CAS Numbers: 924868-82-6 , [924868-82-6]

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) 1.74 1.09 -9.75 2 5 0 71 220.228 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 116 - 118 Enamine Building Blocks
MP 116...118 Enamine Building Blocks
melting_point 117 - 119 KeyOrganics
MP 117-119° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
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.