UCSF

ZINC26738317

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 18 Yes

Popular Name: N,N-diethyl-N'-(4-quinolyl)ethane-1,2-diamine N,N-diethyl-N'-(4-quinolyl)ethan…

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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) 2.81 7.54 -87.34 3 3 2 31 245.37 6 ↓
Hi High (pH 8-9.5) 2.81 5.23 -28.39 2 3 1 29 244.362 6 ↓
Hi High (pH 8-9.5) 2.81 7.13 -46.92 2 3 1 29 244.362 6 ↓

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 799 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 1060 0.46 Functional ≤ 10μM

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