UCSF

ZINC36160308

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Popular Name: 1-[2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,6-dihydroxy-phenyl]-3- 1-[2-[(2R,4S,5S,6S)-4,5-dihydrox…

Find On: PubMed — Wikipedia — Google

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) 1.10 -4 -18.71 6 9 0 157 420.414 7 ↓
Hi High (pH 8-9.5) 1.10 -3.27 -50.89 5 9 -1 160 419.406 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC5A1-1-E Sodium/glucose Cotransporter 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2600 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A1_HUMAN P13866 Sodium/glucose Cotransporter 1, Human 2600 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hexose transport
Inositol transporters
Na+-dependent glucose transporters

Rings

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