UCSF

ZINC13152576

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2008 19 No

Popular Name: 4-(5-Nitrobenzimidazol-2-yl)aniline 4-(5-Nitrobenzimidazol-2-yl)aniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1385694-71-2 , 71002-88-5 , [71002-88-5]

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) 2.56 5.64 -8.97 3 6 0 101 254.249 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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 1500 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100497 Z100497 Bovine Viral Diarrhea Virus 1500 0.43 Functional ≤ 10μM

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