UCSF

ZINC02380305

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 23 Yes

Popular Name: Benzyl-(4-benzyloxy-benzyl)-amine Benzyl-(4-benzyloxy-benzyl)-amine

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CAS Number: 69875-83-8

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) 4.55 0.38 -46.28 2 2 1 25 304.413 7 ↓

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 55 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FDFT_RAT Q02769 Squalene Synthetase, Rat 55 0.44 Binding ≤ 1μM
FDFT_RAT Q02769 Squalene Synthetase, Rat 55 0.44 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% )