UCSF

ZINC40835743

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 25 Yes

Popular Name: 2,4-bis[3-(trifluoromethyl)phenyl]-1H-imidazole 2,4-bis[3-(trifluoromethyl)pheny…

Find On: PubMed — Wikipedia — Google

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) 5.46 10.59 -14.43 1 2 0 29 356.269 4 ↓
Mid Mid (pH 6-8) 5.46 11 -38.44 2 2 1 30 357.277 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 200 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCN2A_HUMAN Q99250 Sodium Channel Protein Type II Alpha Subunit, Human 200 0.38 Binding ≤ 1μM
SCN2A_HUMAN Q99250 Sodium Channel Protein Type II Alpha Subunit, Human 200 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Interaction between L1 and Ankyrins

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