UCSF

ZINC49916475

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 45 No

Popular Name: N,N-bis[[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine N,N-bis[[4-[(2,3,4,5,6-pentafluo…

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Annotations

Vendors

    None

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) 6.58 13.76 -52.26 3 4 1 49 647.533 13 ↓
Lo Low (pH 4.5-6) 6.58 15.86 -127.72 4 4 2 51 648.541 13 ↓

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 3290 0.17 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 2240 0.18 Functional ≤ 10μM

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