UCSF

ZINC53298036

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 37 No

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

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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) 4.26 13.65 -58.9 0 10 -1 143 519.511 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 442 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ENPP2_HUMAN Q13822 Autotaxin, Human 442 0.24 Binding ≤ 1μM
ENPP2_HUMAN Q13822 Autotaxin, Human 442 0.24 Binding ≤ 10μM

Rings

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

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