UCSF

ZINC05502551

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 23 Yes

Popular Name: N-(2-dimethylaminoethyl)-2-(4-pyridyl)-1H-benzoimidazole-4-carboxamide N-(2-dimethylaminoethyl)-2-(4-py…

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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) 1.43 5.85 -52.28 3 6 1 75 310.381 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80362-1-O P388 (Lymphoma Cells) (cluster #1 Of 8), Other Other 6600 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80362 Z80362 P388 (Lymphoma Cells) 6600 0.32 Functional ≤ 10μM

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

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