UCSF

ZINC56824213

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 25 No

Popular Name: (5S,7S,8R,9R,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-4-thia-2-azaspiro[4.5]dec-2-ene-8,9,10- (5S,7S,8R,9R,10R)-7-(hydroxymeth…

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Annotations

Vendors

    None

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) 1.09 -1.79 -14.33 4 7 0 112 363.391 2 ↓

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 160 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYGM_RABIT P00489 Glycogen Phosphorylase, Muscle Form, Rabit 160 0.38 Binding ≤ 1μM
PYGM_RABIT P00489 Glycogen Phosphorylase, Muscle Form, Rabit 160 0.38 Binding ≤ 10μM

Rings

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

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