UCSF

ZINC05009004

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 28 Yes

Popular Name: 2-AMSA; 4'-(9-Acridinylamino)-2'-methoxymethanesulfonanilide; 4'-(9-Acridinylamino)methanesulfon-o-anisidide; 4-(9-Acridinylamino)methanesulfon-o-anisidine; BRN 0452140; CCRIS 1634; LS-90177; Methanesulfon-o-anisidide, 4'-(9-acridinylamino)-; Methanesulfo 2-AMSA; 4'-(9-Acridinylamino)-2'…

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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) 4.91 6.32 -49.37 2 6 0 84 393.468 5 ↓
Hi High (pH 8-9.5) 4.91 5.92 -51.23 1 6 -1 82 392.46 5 ↓

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 10000 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81072 Z81072 Jurkat (Acute Leukemic T-cells) 10000 0.25 Functional ≤ 10μM

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

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