UCSF

ZINC10971696

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2007 29 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) 4.60 2.28 -19.03 1 5 0 60 422.428 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 145 0.33 Binding ≤ 10μM
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 76 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 145 0.33 Binding ≤ 1μM
ACOD1_MOUSE P13516 Acyl-CoA Desaturase 1, Mouse 76 0.34 Binding ≤ 1μM
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 145 0.33 Binding ≤ 10μM
ACOD1_MOUSE P13516 Acyl-CoA Desaturase 1, Mouse 76 0.34 Binding ≤ 10μM

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