UCSF

ZINC12859513

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 22 No

Popular Name: (2Z)-2-(3,4-Dimethoxybenzylidene)-6-hydroxy-1-benzofuran-3(2H)-one (2Z)-2-(3,4-Dimethoxybenzylidene…

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CAS Numbers: , 1322574-14-0 , 32396-83-1

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) 2.38 4.83 -11.28 1 5 0 69 298.294 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80418-2-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #2 Of 9), Other Other 2900 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80418 Z80418 RAW264.7 (Monocytic-macrophage Leukemia Cells) 2900 0.35 Functional ≤ 10μM

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