UCSF

ZINC03870708

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 11 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) -2.62 -10.68 -31.95 6 5 1 97 164.181 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BGAL-1-E Beta-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3300 0.70 Binding ≤ 10μM
D3ZUM4-1-E Beta-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.69 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BGAL_HUMAN P16278 Beta-galactosidase, Human 3300 0.70 Binding ≤ 10μM
D3ZUM4_RAT D3ZUM4 Beta-galactosidase, Rat 3600 0.69 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycosphingolipid metabolism
HS-GAG degradation
Keratan sulfate degradation
Sialic acid metabolism

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