UCSF

ZINC27435736

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 32 Yes

Popular Name: N'-(7-chloro-4-quinolyl)-N-[3-[(7-chloro-4-quinolyl)amino]propyl]-N-methyl-propane-1,3-diamine N'-(7-chloro-4-quinolyl)-N-[3-[(…

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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) 5.63 12.44 -157.83 5 5 3 57 471.456 10 ↓
Hi High (pH 8-9.5) 5.63 11.64 -67.71 3 5 1 54 469.44 10 ↓
Mid Mid (pH 6-8) 5.63 12.04 -108.87 4 5 2 56 470.448 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 8000 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 2.8 0.37 Functional ≤ 10μM

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