UCSF

ZINC04342760

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 19 Yes

Popular Name: 5-Amino-2-((4-aminophenyl)amino)benzenesulfonic acid 5-Amino-2-((4-aminophenyl)amino)…

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CAS Numbers: 119-70-0 , [119-70-0]

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) -1.00 -9.7 -50.28 5 6 -1 121 278.313 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% APIChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LEF-1-B Anthrax Lethal Factor (cluster #1 Of 2), Bacterial Bacteria 560 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LEF_BACAN P15917 Anthrax Lethal Factor, Bacan 560 0.46 Binding ≤ 1μM
LEF_BACAN P15917 Anthrax Lethal Factor, Bacan 3400 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Uptake and function of anthrax toxins

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