UCSF

ZINC49524968

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 25 Yes

Popular Name: 2-[4-[2-(trifluoromethyl)phenyl]sulfanyl-1-piperidyl]thiazole-5-carboxamide 2-[4-[2-(trifluoromethyl)phenyl]…

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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) 3.45 7.08 -15.26 2 4 0 59 387.452 5 ↓

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 24 0.43 Binding ≤ 10μM
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 24 0.43 Binding ≤ 1μM
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 4 0.47 Binding ≤ 1μM
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 24 0.43 Binding ≤ 10μM
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 4 0.47 Binding ≤ 10μM

Rings

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

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