UCSF

ZINC02562358

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 1-Deoxynojirimycin 1-Deoxynojirimycin

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CAS Numbers: 19130-96-2 , 210223-32-8 , 355138-93-1

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) -2.40 -8.74 -34.63 6 5 1 98 164.181 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 80 0.90 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FUCO_BOVIN Q2KIM0 Alpha-L-fucosidase 1, Bovin 630 0.79 Binding ≤ 1μM
FUCO_BOVIN Q2KIM0 Alpha-L-fucosidase 1, Bovin 630 0.79 Binding ≤ 10μM
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 3500 0.69 Binding ≤ 10μM

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