UCSF

ZINC03639394

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 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) 4.32 3.22 -13.15 1 3 0 40 377.284 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NR1H3-1-E LXR-alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 100 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NR1H3_HUMAN Q13133 LXR-alpha, Human 100 0.38 Binding ≤ 1μM
NR1H3_HUMAN Q13133 LXR-alpha, Human 100 0.38 Binding ≤ 10μM

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