UCSF

ZINC26576956

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 17 Yes

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) -1.36 -4.94 -35.19 6 6 1 106 250.315 5
Hi High (pH 8-9.5) -1.36 -4.14 -52.39 5 6 0 108 249.307 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LYAG-1-E Alpha-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 4800 0.44 Binding ≤ 10μM
MGA-1-E Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic Eukaryotes 4200 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LYAG_RAT Q6P7A9 Acidic Alpha-glucosidase, Rat 2200 0.47 Binding ≤ 10μM
MGA_HUMAN O43451 Maltase-glucoamylase, Human 4200 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Digestion of dietary carbohydrate

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