UCSF

ZINC36349922

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 30 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) 7.39 13.84 -10.9 2 4 0 58 412.618 11

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 430 0.30 Binding ≤ 10μM
SOAT2-1-E Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 430 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 430 0.30 Binding ≤ 1μM
SOAT2_HUMAN O75908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Human 430 0.30 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 430 0.30 Binding ≤ 10μM
SOAT2_HUMAN O75908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Human 430 0.30 Binding ≤ 10μM

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