UCSF

ZINC36160267

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Substance Information

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

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

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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) 2.08 -2.37 -23.43 7 14 0 235 584.534 10 ↓
Hi High (pH 8-9.5) 2.08 -1.64 -53.2 6 14 -1 238 583.526 10 ↓
Lo Low (pH 4.5-6) 2.08 -2.03 -60.19 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% )