UCSF

ZINC04761760

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 29 Yes

Popular Name: 4-methoxy-N-[[1-[2-(4-methylphenoxy)ethyl]benzoimidazol-2-yl]methyl]aniline 4-methoxy-N-[[1-[2-(4-methylphen…

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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) 5.05 10.9 -9.59 1 5 0 48 387.483 8 ↓
Mid Mid (pH 6-8) 5.05 11.37 -34.48 2 5 1 50 388.491 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50600-1-O Vaccinia Virus (cluster #1 Of 2), Other Other 5500 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50600 Z50600 Vaccinia Virus 5500 0.25 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.