UCSF

ZINC05529906

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 20 No

Popular Name: n / a n / a

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CAS Number: 6218-29-7

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) 2.65 -1.09 -8.22 1 2 0 37 272.388 0 ↓

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 0 0.00 Binding ≤ 10μM
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 133 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 0.2 0.68 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 133 0.48 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 0.2 0.68 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 133 0.48 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% )