UCSF

ZINC04654858

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2005 29 No

Popular Name: (24R)-24-hydroxycholesterol (24R)-24-hydroxycholesterol

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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) 6.21 9.56 -3.16 2 2 0 40 402.663 5 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CP39A_HUMAN; CP39A_MOUSE ChEBI
PUBCHEM_PATENT_ID EP0946584A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NR1H3-2-E LXR-alpha (cluster #2 Of 2), Eukaryotic Eukaryotes 220 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NR1H3_HUMAN Q13133 LXR-alpha, Human 220 0.32 Binding ≤ 1μM
NR1H3_HUMAN Q13133 LXR-alpha, Human 220 0.32 Binding ≤ 10μM

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