UCSF

ZINC04977123

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 20 Yes

Popular Name: [4-Ethyl-5-(2-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid [4-Ethyl-5-(2-methoxy-phenyl)-4H…

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CAS Number: 333313-05-6

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) 2.12 8.28 -52.27 0 6 -1 80 292.34 6 ↓

Vendor Notes

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Warnings IRRITANT Matrix Scientific

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