UCSF

ZINC00047830

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

Popular Name: [5-oxido-4-(2-thenoyl)furazan-5-ium-3-yl]-(2-thienyl)methanone [5-oxido-4-(2-thenoyl)furazan-5-…

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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) 3.54 7.09 -11.54 0 6 0 86 306.324 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q962Y6-1-E Thioredoxin Glutathione Reductase (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q962Y6_SCHMA Q962Y6 Thioredoxin Glutathione Reductase, Schma 40 0.52 Binding ≤ 1μM
Q962Y6_SCHMA Q962Y6 Thioredoxin Glutathione Reductase, Schma 40 0.52 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.