UCSF

ZINC15933444

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 17 No

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

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CAS Numbers: 69505-47-1 , [69505-47-1]

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) 1.62 1.53 -43.85 1 4 -1 65 266.323 2 ↓
Lo Low (pH 4.5-6) 1.16 2.62 -14.99 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% )