UCSF

ZINC03961370

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 22 No

Popular Name: 1,1'-Decamethylenebis(1-methylpyrrolidinium) diiodide; LS-138322; Pyrrolidinium, 1,1'-decamethylenebis(1-methyl-, diiodide 1,1'-Decamethylenebis(1-methylpy…

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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) -3.20 5.47 -65.08 0 2 2 0 310.57 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-6-O Plasmodium Falciparum (cluster #6 Of 22), Other Other 150 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 150 0.43 Functional ≤ 10μM

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