UCSF

ZINC15008639

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 32 No

Popular Name: (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-methoxy-4-(4-pyridylmethoxy)phenyl]methylene]thiazolidine-2,4- (5Z)-3-[(4-chlorophenyl)methyl]-…

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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) 3.78 11.19 -13.24 0 6 0 70 466.946 7 ↓
Lo Low (pH 4.5-6) 3.78 11.46 -43.29 1 6 1 72 467.954 7 ↓

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 68 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ENPP2_HUMAN Q13822 Autotaxin, Human 68 0.31 Binding ≤ 1μM
ENPP2_HUMAN Q13822 Autotaxin, Human 68 0.31 Binding ≤ 10μM

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