UCSF

ZINC13673960

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 No

Popular Name: 2-chloro-N-[(2-chloro-5-sulfamoyl-phenyl)carbamoyl]-4-fluoro-benzamide 2-chloro-N-[(2-chloro-5-sulfamoy…

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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) 2.55 2.68 -26.31 4 7 0 118 406.222 3 ↓
Hi High (pH 8-9.5) 2.18 1.09 -54.42 3 7 -1 125 405.214 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYGL-1-E Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic Eukaryotes 2042 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYGL_HUMAN P06737 Liver Glycogen Phosphorylase, Human 2000 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycogen breakdown (glycogenolysis)

Rings

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

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