UCSF

ZINC05162777

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 25 Yes

Popular Name: BRN 0321275; Benzenesulfonamide, 4-(9-acridinylamino)-; LS-147866; N(sup 4)-9-Acridinylsulfanilide; Sulfanilide, N(sup 4)-9-acridinyl- BRN 0321275; Benzenesulfonamide,…

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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) 4.38 5.16 -35.29 4 5 1 86 350.423 3 ↓
Hi High (pH 8-9.5) 4.38 4.76 -15.1 3 5 0 85 349.415 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81072-6-O Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other Other 5000 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81072 Z81072 Jurkat (Acute Leukemic T-cells) 5000 0.30 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.