UCSF

ZINC02333804

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 29 Yes

Popular Name: [(2R,4S)-2,6-dimethyl-4-(p-toluidino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone [(2R,4S)-2,6-dimethyl-4-(p-tolui…

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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) 5.94 1.32 -7.55 1 3 0 32 388.486 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 3000 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ECR_AEDAE P49880 Ecdysone Receptor, Aedae 3000 0.27 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.