UCSF

ZINC05869630

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 25 No

Popular Name: 3-(5-bromo-2-methoxy-phenyl)-1-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one 3-(5-bromo-2-methoxy-phenyl)-1-(…

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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) 4.06 2.4 -11.67 0 5 0 54 407.26 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TNR1A-1-E Tumor Necrosis Factor Receptor R1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TNR1A_HUMAN P19438 Tumor Necrosis Factor Receptor R1, Human 1000 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
TNF signaling

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

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