UCSF

ZINC26263493

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 31 Yes

Popular Name: N,N'-bis(7-chloro-4-quinolyl)heptane-1,7-diamine N,N'-bis(7-chloro-4-quinolyl)hep…

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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) 7.11 12.72 -72.08 4 4 2 52 455.433 10 ↓
Hi High (pH 8-9.5) 7.11 12.32 -39.49 3 4 1 51 454.425 10 ↓
Hi High (pH 8-9.5) 7.11 11.92 -14.57 2 4 0 50 453.417 10 ↓

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 4 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 1.9 0.39 Functional ≤ 10μM

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