UCSF

ZINC26575648

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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 -6.32 -45.26 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 6 1.15 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 5 1.16 Binding ≤ 1μM
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 5 1.16 Binding ≤ 10μM

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