UCSF

ZINC40576625

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 21 No

Popular Name: 5-(2-ethylbutyl)-2-phenyl-imidazo[4,5-c]pyridine 5-(2-ethylbutyl)-2-phenyl-imidaz…

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) 0.16 10.66 -31.38 1 3 1 33 280.395 5 ↓
Mid Mid (pH 6-8) 4.54 10.31 -21.86 0 3 0 31 279.387 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100497-1-O Bovine Viral Diarrhea Virus (cluster #1 Of 3), Other Other 1900 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100497 Z100497 Bovine Viral Diarrhea Virus 1900 0.38 Functional ≤ 10μM

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