UCSF

ZINC56861388

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 25 No

Popular Name: N-[[(3R,4S,5S,6R)-4,5-dihydroxy-6-methyl-hexahydropyridazin-3-yl]methyl]-4-phenyl-benzamide N-[[(3R,4S,5S,6R)-4,5-dihydroxy-…

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Annotations

Vendors

    None

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) 1.36 0.29 -10.46 5 6 0 94 341.411 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FUCO-2-E Alpha-L-fucosidase 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 8600 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FUCO_BOVIN Q2KIM0 Alpha-L-fucosidase 1, Bovin 1000 0.34 Binding ≤ 1μM
FUCO_BOVIN Q2KIM0 Alpha-L-fucosidase 1, Bovin 1000 0.34 Binding ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.