UCSF

ZINC03785913

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 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) -2.07 -10.25 -32.25 6 5 1 97 178.208 1

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 5 0.97 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FUCO_BOVIN Q2KIM0 Alpha-L-fucosidase 1, Bovin 5.3 0.97 Binding ≤ 1μM
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 80 0.83 Binding ≤ 1μM
FUCO_BOVIN Q2KIM0 Alpha-L-fucosidase 1, Bovin 5.3 0.97 Binding ≤ 10μM
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 80 0.83 Binding ≤ 10μM

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