UCSF

ZINC13758345

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 27 No

Popular Name: 1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine 1-[5-(4-aminoquinolin-1-ium-1-yl…

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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) -4.58 11.11 -69.33 4 4 2 60 358.489 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997048705A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-10-O Rattus Norvegicus (cluster #10 Of 12), Other Other 1000 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 1000 0.31 Functional ≤ 10μM

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