UCSF

ZINC05344130

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 16 Yes

Popular Name: [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid [(4-Methyl-5-thien-2-yl-4H-1,2,4…

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CAS Numbers: 497174-93-3 , [497174-93-3]

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) 1.52 0.13 -49.23 0 5 -1 70 254.316 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 205 - 207 Enamine Building Blocks
MP 205...207 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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