UCSF

ZINC04809430

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 27 Yes

Popular Name: 4'-((3-Amino-9-acridinyl)amino)methanesulfonanilide; BRN 0499734; LS-90184; Methanesulfonanilide, 4'-((3-amino-9-acridinyl)amino)- 4'-((3-Amino-9-acridinyl)amino)m…

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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) 3.98 -6.86 -16 4 6 0 97 378.457 4 ↓

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 3000 0.29 Functional ≤ 10μM
Z81072-6-O Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other Other 2000 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81072 Z81072 Jurkat (Acute Leukemic T-cells) 2000 0.30 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 3000 0.29 Functional ≤ 10μM

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