UCSF

ZINC05529769

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 24 No

Popular Name: 5-(4-Methoxy-phenyl)-4-(3-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol 5-(4-Methoxy-phenyl)-4-(3-triflu…

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CAS Number: 216501-13-2

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) 3.98 10.21 -12.22 1 4 0 43 351.353 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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