UCSF

ZINC30731581

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 35 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) 1.84 -1.66 -20.18 6 7 0 138 494.669 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECR-2-E Ecdysone Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 112 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ECR_DROME P34021 Ecdysone Receptor, Drome 112.201845 0.28 Binding ≤ 1μM
ECR_DROME P34021 Ecdysone Receptor, Drome 112.201845 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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