UCSF

ZINC05829822

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 13 Yes

Popular Name: 2,6-bis(hydroxymethyl)piperidine-3,4,5-triol 2,6-bis(hydroxymethyl)piperidine…

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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) -3.05 -12.06 -29.38 7 6 1 117 194.207 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
D3ZJF9-1-E Alpha-galactosidase A (cluster #1 Of 1), Eukaryotic Eukaryotes 4500 0.58 Binding ≤ 10μM
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 22 0.82 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GANC_HUMAN Q8TET4 Neutral Alpha-glucosidase C, Human 22 0.82 Binding ≤ 1μM
D3ZJF9_RAT D3ZJF9 Alpha-galactosidase A, Rat 4500 0.58 Binding ≤ 10μM
GANC_HUMAN Q8TET4 Neutral Alpha-glucosidase C, Human 22 0.82 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycosphingolipid metabolism

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