UCSF

ZINC42889754

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 36 No

Popular Name: [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl [(2R,3S,4S,5R,6R)-3,4,5,6-tetrah…

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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) 2.28 2.66 -14.17 4 10 0 148 519.934 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GTR1-1-E Solute Carrier Family 2, Facilitated Glucose Transporter Member 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 710 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GTR1_RAT P11167 Solute Carrier Family 2, Facilitated Glucose Transporter Member 1, Rat 710 0.24 Binding ≤ 1μM
GTR1_RAT P11167 Solute Carrier Family 2, Facilitated Glucose Transporter Member 1, Rat 710 0.24 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glucose transport
Regulation of insulin secretion
Vitamin C (ascorbate) metabolism

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