UCSF

ZINC26579736

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 28 Yes

Popular Name: N'-acridin-9-yl-N,N-dipropyl-benzene-1,4-diamine N'-acridin-9-yl-N,N-dipropyl-ben…

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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) 7.55 13.95 -26.05 2 3 1 29 370.52 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50460-4-O Leishmania Major (cluster #4 Of 4), Other Other 200 0.33 Functional ≤ 10μM
Z81072-6-O Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other Other 1500 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81072 Z81072 Jurkat (Acute Leukemic T-cells) 1500 0.29 Functional ≤ 10μM
Z50460 Z50460 Leishmania Major 200 0.33 Functional ≤ 10μM

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