UCSF

ZINC28466486

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 16 Yes

Popular Name: N'-(3-bromophenyl)-N,N-diethyl-propane-1,3-diamine N'-(3-bromophenyl)-N,N-diethyl-p…

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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) 3.63 8.05 -38.73 2 2 1 16 286.237 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50426-1-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other Other 8 0.71 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 109.9 0.61 Functional ≤ 10μM

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