UCSF

ZINC66073722

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 23 No

Popular Name: N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)propane-1,3-diamine N-(5-methyl-10H-indolo[3,2-b]qui…

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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) -0.72 6.65 -86.41 5 4 2 59 306.413 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 26 0.46 Functional ≤ 10μM
Z80583-3-O Vero (Kidney Cells) (cluster #3 Of 3), Other Other 10000 0.30 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 133 0.42 Functional ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 10000 0.30 ADME/T ≤ 10μM

Rings

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

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