UCSF

ZINC39047423

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 20 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) 4.02 9.27 -8.65 1 3 0 32 274.408 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q95214-1-E Acyl-CoA:cholesterol Acyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q95214_RABIT Q95214 Acyl-CoA:cholesterol Acyltransferase, Rabit 4000 0.38 Binding ≤ 10μM

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