UCSF

ZINC34803572

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 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) 8.82 19.31 -13.4 0 9 0 124 486.613 18

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
THIL-1-E Acetyl-CoA Acetyltransferase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
THIL_HUMAN P24752 Acetyl-CoA Acetyltransferase, Mitochondrial, Human 5000 0.21 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Branched-chain amino acid catabolism
Synthesis of Ketone Bodies
Utilization of Ketone Bodies

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