UCSF

ZINC26974784

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 38 No

Popular Name: (1S,3S,4S,5R,6R,7R)-1-[(4R,5S)-4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl]-4,6,7-trihydroxy-2,8-d (1S,3S,4S,5R,6R,7R)-1-[(4R,5S)-4…

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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) -0.30 6.28 -244.79 3 13 -3 226 535.478 12 ↓
Lo Low (pH 4.5-6) -0.30 3.06 -138.99 4 13 -2 223 536.486 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-1-E Squalene Synthetase (cluster #1 Of 4), Eukaryotic Eukaryotes 26 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FDFT_RAT Q02769 Squalene Synthetase, Rat 26 0.28 Binding ≤ 1μM
FDFT_RAT Q02769 Squalene Synthetase, Rat 26 0.28 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% )