UCSF

ZINC40753976

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 22 No

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

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) -1.54 9.45 -31.95 1 4 1 45 287.346 3 ↓
Hi High (pH 8-9.5) 2.84 9.06 -23.36 0 4 0 44 286.338 3 ↓

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 1600 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100497 Z100497 Bovine Viral Diarrhea Virus 1600 0.37 Functional ≤ 10μM

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