UCSF

ZINC43013286

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 32 Yes

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) 4.34 8.68 -20.72 2 6 0 81 466.481 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 2 0.38 Binding ≤ 10μM
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 2 0.38 Binding ≤ 1μM
ACOD1_MOUSE P13516 Acyl-CoA Desaturase 1, Mouse 2 0.38 Binding ≤ 1μM
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 2 0.38 Binding ≤ 10μM
ACOD1_MOUSE P13516 Acyl-CoA Desaturase 1, Mouse 2 0.38 Binding ≤ 10μM

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