UCSF

ZINC27718071

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 23 Yes

Popular Name: N,N-bis[(4-methoxyphenyl)methyl]propane-1,3-diamine N,N-bis[(4-methoxyphenyl)methyl]…

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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) 2.33 5.28 -48.48 3 4 1 49 315.437 9 ↓
Hi High (pH 8-9.5) 2.33 7.15 -42.77 3 4 1 49 315.437 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-11-O Plasmodium Falciparum (cluster #11 Of 22), Other Other 9340 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 9340 0.31 Functional ≤ 10μM

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