UCSF

ZINC13473933

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 23 No

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) 3.82 8.58 -8.48 1 2 0 37 304.389 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-2-E Androgen Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 180 0.41 Binding ≤ 10μM
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 157 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 180 0.41 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 157 0.41 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 180 0.41 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 157 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
BMAL1:CLOCK,NPAS2 activates circadian gene expression
Nuclear Receptor transcription pathway

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