UCSF

ZINC27316109

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 26 No

Popular Name: 4-chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[5,4-a]isoquinolin-3-yl)benzenesulfonamide 4-chloro-5-methyl-2-sulfanyl-N-(…

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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) 4.20 10.74 -55.27 0 6 -1 78 403.896 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYGM-2-E Muscle Glycogen Phosphorylase (cluster #2 Of 4), Eukaryotic Eukaryotes 7500 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYGM_RABIT P00489 Glycogen Phosphorylase, Muscle Form, Rabit 7500 0.28 Binding ≤ 10μM

Rings

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

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