UCSF

ZINC26580226

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 48 No

Popular Name: N,N'-bis(6-chloro-2-methoxy-acridin-9-yl)dodecane-1,12-diamine N,N'-bis(6-chloro-2-methoxy-acri…

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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) 9.75 20.37 -57.27 4 6 2 71 685.74 17 ↓
Hi High (pH 8-9.5) 9.75 19.58 -12.45 2 6 0 68 683.724 17 ↓
Mid Mid (pH 6-8) 9.75 19.96 -31.65 3 6 1 70 684.732 17 ↓

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 176 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 176 0.20 Functional ≤ 10μM

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