UCSF

ZINC45286342

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 28 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) 2.22 4.2 -21.75 3 7 0 91 424.284 7

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 0.45 Binding ≤ 10μM
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 0.5 0.47 Binding ≤ 1μM
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 1.4 0.44 Binding ≤ 1μM
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 0.5 0.47 Binding ≤ 10μM
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 1.4 0.44 Binding ≤ 10μM

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