UCSF

ZINC08438953

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 35 No

Popular Name: 4-({4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzoic acid 4-({4-[(3-benzyl-2,4-dioxo-1,3-t…

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Other Names:

MFCD03082489

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) 4.67 1.28 -60.1 0 7 -1 97 488.541 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 161 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ENPP2_HUMAN Q13822 Autotaxin, Human 161 0.27 Binding ≤ 1μM
ENPP2_HUMAN Q13822 Autotaxin, Human 161 0.27 Binding ≤ 10μM

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