UCSF

ZINC00056673

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 17 Yes

Popular Name: [(4-Methyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid [(4-Methyl-2-oxo-2H-chromen-7-yl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 64700-15-8 , [64700-15-8]

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 6.49 -52.36 0 5 -1 80 233.199 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 205 - 207 Enamine Building Blocks
MP 205...207 Enamine Building Blocks
MP 206 - 208 Enamine Building Blocks
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
Z80583-1-O Vero (Kidney Cells) (cluster #1 Of 7), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80583 Z80583 Vero (Kidney Cells) 0.1 0.82 Functional ≤ 10μM

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