UCSF

ZINC02536861

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 No

Popular Name: (5E)-5-(3-ethoxy-2-hydroxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (5E)-5-(3-ethoxy-2-hydroxybenzyl…

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CAS Numbers: 99988-45-1 , [99988-45-1]

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) 2.20 2.63 -41.6 1 4 -1 65 280.35 3 ↓
Hi High (pH 8-9.5) 2.20 3.41 -94.52 0 4 -2 68 279.342 3 ↓
Lo Low (pH 4.5-6) 1.75 3.72 -13.63 2 4 0 62 281.358 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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