UCSF

ZINC01250026

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 17 No

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

Find On: PubMed — Wikipedia — Google

CAS Number: 5447-37-0

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 -42.44 1 4 -1 65 266.323 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000018747A1 IBM Patent Data

Activity (Go SEA)

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