UCSF

ZINC13490213

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 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) 5.91 11.28 -7.34 1 3 0 32 412.867 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECR-1-E Ecdysone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 640 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ECR_AEDAE P49880 Ecdysone Receptor, Aedae 640 0.30 Functional ≤ 10μM

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