UCSF

ZINC26505330

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 26 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) 4.88 12.02 -47.84 2 3 1 35 348.466 10
Hi High (pH 8-9.5) 4.88 10.55 -7.34 1 3 0 30 347.458 10

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-4-E Squalene Synthetase (cluster #4 Of 4), Eukaryotic Eukaryotes 15 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FDFT_RAT Q02769 Squalene Synthetase, Rat 15 0.42 Binding ≤ 1μM
FDFT_RAT Q02769 Squalene Synthetase, Rat 15 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis
PPARA activates gene expression

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