UCSF

ZINC21948248

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 Yes

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

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CAS Numbers: 103058-74-8 , [103058-74-8]

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) 0.95 6.31 -61.4 0 5 -1 71 216.22 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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