UCSF

ZINC58534807

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 43 No

Popular Name: N2-[7-[(9-amino-7-methoxy-acridin-3-yl)amino]heptyl]-7-methoxy-acridine-2,9-diamine N2-[7-[(9-amino-7-methoxy-acridi…

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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) 7.84 10.52 -57.03 8 8 2 123 576.745 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50417-3-O Leishmania Infantum (cluster #3 Of 4), Other Other 9000 0.16 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50417 Z50417 Leishmania Infantum 9000 0.16 Functional ≤ 10μM

Rings

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