UCSF

ZINC21948250

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

Popular Name: 1-(4-methoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid 1-(4-methoxyphenyl)-5-methyl-1H-…

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CAS Number: 92290-22-7

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) 0.56 4.96 -61.3 0 6 -1 80 232.219 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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