UCSF

ZINC27656820

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 28 Yes

Popular Name: N,N-bis[(2,4-dimethoxyphenyl)methyl]butane-1,4-diamine N,N-bis[(2,4-dimethoxyphenyl)met…

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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) 2.57 7.33 -100.41 4 6 2 69 390.524 12 ↓

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 7760 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 7760 0.26 Functional ≤ 10μM

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