UCSF

ZINC43013566

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 34 Yes

Popular Name: 3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]benzami 3-(2-hydroxyethoxy)-4-(2-methoxy…

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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) 3.86 7.99 -22.99 2 7 0 90 496.507 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACOD-1-E Acyl-CoA Desaturase (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 0.6 0.38 Binding ≤ 1μM
ACOD1_MOUSE P13516 Acyl-CoA Desaturase 1, Mouse 3 0.35 Binding ≤ 1μM
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 0.6 0.38 Binding ≤ 10μM
ACOD1_MOUSE P13516 Acyl-CoA Desaturase 1, Mouse 3 0.35 Binding ≤ 10μM

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