UCSF

ZINC40810760

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 No

Popular Name: 5-isopentyl-2-phenyl-imidazo[4,5-c]pyridine 5-isopentyl-2-phenyl-imidazo[4,5…

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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) -0.32 10.26 -31.68 1 3 1 33 266.368 4 ↓
Mid Mid (pH 6-8) 4.07 9.92 -22.31 0 3 0 31 265.36 4 ↓

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 3800 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100497 Z100497 Bovine Viral Diarrhea Virus 3800 0.38 Functional ≤ 10μM

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