UCSF

ZINC38781753

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 24 No

Popular Name: 2-phenyl-5-(3-phenylpropyl)imidazo[4,5-c]pyridine 2-phenyl-5-(3-phenylpropyl)imida…

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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) 0.35 12.77 -35.59 1 3 1 33 314.412 5 ↓
Mid Mid (pH 6-8) 4.74 12.44 -25.5 0 3 0 31 313.404 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 700 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100497 Z100497 Bovine Viral Diarrhea Virus 700 0.36 Functional ≤ 10μM

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