UCSF

ZINC43120389

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 35 No

Popular Name: N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxy-benzamide N-[5-[[3,5-bis(trifluoromethyl)p…

Find On: PubMed — Wikipedia — Google

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) 4.82 8.76 -22.13 2 6 0 81 520.451 10 ↓

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 26 0.30 Binding ≤ 10μM
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 0.2 0.39 Binding ≤ 1μM
ACOD1_MOUSE P13516 Acyl-CoA Desaturase 1, Mouse 0.6 0.37 Binding ≤ 1μM
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 0.2 0.39 Binding ≤ 10μM
ACOD1_MOUSE P13516 Acyl-CoA Desaturase 1, Mouse 0.6 0.37 Binding ≤ 10μM

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