UCSF

ZINC26263500

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 36 Yes

Popular Name: N,N'-bis(7-chloro-4-quinolyl)dodecane-1,12-diamine N,N'-bis(7-chloro-4-quinolyl)dod…

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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) 8.97 16.6 -68.52 4 4 2 52 525.568 15 ↓
Hi High (pH 8-9.5) 8.97 16.2 -38.47 3 4 1 51 524.56 15 ↓
Hi High (pH 8-9.5) 8.97 15.8 -13.82 2 4 0 50 523.552 15 ↓

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 60 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 31 0.29 Functional ≤ 10μM

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