UCSF

ZINC43120509

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 32 Yes

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

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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) 4.08 7.8 -23.05 2 6 0 81 470.444 9 ↓

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 8 0.35 Binding ≤ 10μM
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 0.6 0.40 Binding ≤ 1μM
ACOD1_MOUSE P13516 Acyl-CoA Desaturase 1, Mouse 0.2 0.42 Binding ≤ 1μM
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 0.6 0.40 Binding ≤ 10μM
ACOD1_MOUSE P13516 Acyl-CoA Desaturase 1, Mouse 0.2 0.42 Binding ≤ 10μM

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