UCSF

ZINC38522679

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 10 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) -1.43 -5.81 -34.59 5 4 1 77 148.182 0

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FUCO-3-E Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 1000 0.84 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FUCO_BOVIN Q2KIM0 Alpha-L-fucosidase 1, Bovin 1000 0.84 Binding ≤ 1μM
FUCO_BOVIN Q2KIM0 Alpha-L-fucosidase 1, Bovin 1000 0.84 Binding ≤ 10μM

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