UCSF

ZINC14451144

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2008 12 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) -2.35 -9.63 -37.61 6 5 1 98 178.208 3

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 7200 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LYAG_RAT Q6P7A9 Acidic Alpha-glucosidase, Rat 2500 0.65 Binding ≤ 10μM

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