UCSF

ZINC08430641

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 42 No

Popular Name: 1-benzyl-3-(2-{2-[2-(3-benzyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]ethoxy}ethyl)-1,3-dihydro-2H-benzimidazol-2-imine 1-benzyl-3-(2-{2-[2-(3-benzyl-2-…

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Other Names:

MFCD03861266

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) -2.08 22.46 -69.21 4 8 2 88 562.718 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50725-7-O Trypanosoma Brucei Rhodesiense (cluster #7 Of 7), Other Other 1300 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 1300 0.20 Functional ≤ 10μM

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

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