UCSF

ZINC40874065

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 29 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) 3.59 6.77 -12.75 5 7 0 113 432.311 8
Hi High (pH 8-9.5) 3.59 7.53 -45.14 4 7 -1 116 431.303 8
Mid Mid (pH 6-8) 3.59 7.13 -45.17 6 7 1 114 433.319 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
STAT6-1-E Signal Transducer And Activator Of Transcription 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 61 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
STAT6_HUMAN P42226 Signal Transducer And Activator Of Transcription 6, Human 61 0.35 Binding ≤ 1μM
STAT6_HUMAN P42226 Signal Transducer And Activator Of Transcription 6, Human 61 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Downstream signal transduction
STAT6-mediated induction of chemokines

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