UCSF

ZINC44361962

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 36 No

Popular Name: [(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydr [(2R,3R,4S,5S,6R)-4-hydroxy-6-(h…

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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) -0.70 -5.38 -20.84 6 12 0 185 510.492 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LEG3-1-E Galectin-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 0.22 Binding ≤ 10μM
LEG9-1-E Galectin-9 (cluster #1 Of 1), Eukaryotic Eukaryotes 1600 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LEG3_HUMAN P17931 Galectin-3, Human 2500 0.22 Binding ≤ 10μM
LEG9_HUMAN O00182 Galectin-9, Human 1600 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Advanced glycosylation endproduct receptor signaling

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