UCSF

ZINC38150961

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 35 No

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) 8.42 16.21 -10.8 2 4 0 58 484.769 15

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EST1-1-E Acyl Coenzyme A:cholesterol Acyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 22 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EST1_RABIT P12337 Acyl Coenzyme A:cholesterol Acyltransferase, Rabit 22 0.31 Functional ≤ 10μM

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