UCSF

ZINC12502891

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 17 No

Popular Name: (5S,6S,7S,8S,9S)-6,7,8-trihydroxy-9-(hydroxymethyl)-2-thioxo-10-oxa-1,3-diazaspiro[4.5]decan-4-one (5S,6S,7S,8S,9S)-6,7,8-trihydrox…

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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) -2.78 -10.13 -17.52 6 8 0 131 264.259 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYGB-1-E Brain Glycogen Phosphorylase (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYGB_HUMAN P11216 Brain Glycogen Phosphorylase, Human 5100 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycogen breakdown (glycogenolysis)

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