UCSF

ZINC04837050

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2006 15 No

Popular Name: 4,5-dinitrobenzo[1,3]dioxole 4,5-dinitrobenzo[1,3]dioxole

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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) 1.67 5.2 -16.65 0 8 0 110 212.117 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRXR2-1-E Thioredoxin Reductase 2, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRXR2_PLAF7 P61076 Thioredoxin Reductase, Plaf7 10000 0.47 Binding ≤ 10μM

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