UCSF

ZINC03961365

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 20 No

Popular Name: Ammonium, dodecamethylenebis(trimethyl-, diiodide; Dodecamethylenebis(trimethylammonium iodide); LS-17908 Ammonium, dodecamethylenebis(tri…

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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) -3.00 7.28 -65.77 0 2 2 0 286.548 13 ↓

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 90 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 0.1 0.70 Functional ≤ 10μM

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