UCSF

ZINC02536860

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 No

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

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CAS Numbers: 99972-65-3 , [99972-65-3]

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) 1.83 1.72 -41.66 1 4 -1 65 266.323 2 ↓
Hi High (pH 8-9.5) 1.83 2.49 -93.75 0 4 -2 68 265.315 2 ↓
Lo Low (pH 4.5-6) 1.37 2.8 -13.81 2 4 0 62 267.331 2 ↓

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% )