UCSF

ZINC26263793

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 32 Yes

Popular Name: N,N'-bis(7-chloro-4-quinolyl)octane-1,8-diamine N,N'-bis(7-chloro-4-quinolyl)oct…

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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) 7.62 13.49 -70.81 4 4 2 52 469.46 11 ↓
Hi High (pH 8-9.5) 7.62 13.09 -39.26 3 4 1 51 468.452 11 ↓

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 6 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 3.1 0.37 Functional ≤ 10μM

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