UCSF

ZINC04234476

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 16 Yes

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

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CAS Number: 876717-65-6

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) 2.24 2.33 -51.78 0 4 -1 66 216.216 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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