UCSF

ZINC36160258

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 42 No

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

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) 2.08 -1.62 -23.68 7 14 0 235 584.534 10 ↓
Hi High (pH 8-9.5) 2.08 -1.67 -54.86 6 14 -1 238 583.526 10 ↓
Lo Low (pH 4.5-6) 2.08 -1.28 -61.2 8 14 1 237 585.542 10 ↓
Lo Low (pH 4.5-6) 2.08 -1.98 -63.22 8 14 1 237 585.542 10 ↓

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 5300 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A1_HUMAN P13866 Sodium/glucose Cotransporter 1, Human 5300 0.18 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% )