UCSF

ZINC03863252

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 19 Yes

Popular Name: {[4-ethyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid {[4-ethyl-5-(2-methylphenyl)-4H-…

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CAS Number: 741731-80-6

Other Names:

MFCD03429376

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) 2.52 1.18 -50.04 0 5 -1 70 276.341 5 ↓

Vendor Notes

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

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