UCSF

ZINC43120624

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 27 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) 5.78 11.92 -15.3 1 3 0 42 390.43 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8218 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD1_MOUSE P13516 Acyl-CoA Desaturase 1, Mouse 8218 0.26 Binding ≤ 10μM

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