UCSF

ZINC00384355

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 No

Popular Name: 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol hydrochloride 4-(2-methyl-1,3-thiazol-4-yl)ben…

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CAS Numbers: , 20217-14-5

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) 1.29 1.07 -10.42 2 3 0 53 207.254 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50212-3-O Escherichia Coli (cluster #3 Of 7), Other Other 5600 0.53 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50212 Z50212 Escherichia Coli 5600 0.53 Functional ≤ 10μM

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