UCSF

ZINC02536911

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 No

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

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CAS Numbers: 4818-22-8 , [4818-22-8]

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) 3.11 5.66 -39.61 0 2 -1 36 248.352 1 ↓
Lo Low (pH 4.5-6) 2.65 6.76 -8.28 1 2 0 33 249.36 1 ↓

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% )