UCSF

ZINC28822568

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 25 No

Popular Name: 2-[4-[(Z)-[3-(carboxymethyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]acetic 2-[4-[(Z)-[3-(carboxymethyl)-2,4…

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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) -0.31 5.35 -104.88 0 9 -2 138 365.319 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALDR-2-E Aldose Reductase (cluster #2 Of 5), Eukaryotic Eukaryotes 260 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALDR_BOVIN P16116 Aldose Reductase, Bovin 260 0.37 Binding ≤ 1μM
ALDR_BOVIN P16116 Aldose Reductase, Bovin 260 0.37 Binding ≤ 10μM

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

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