UCSF

ZINC26996715

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 18 Yes

Popular Name: 2-amino-N-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-methyl-2-piperidyl]methyl]acetamid 2-amino-N-[[(2R,3R,4S,5R,6S)-3,4…

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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) -3.59 -10.67 -107.92 10 8 2 154 265.31 4 ↓
Hi High (pH 8-9.5) -3.59 -11.71 -54.84 9 8 1 150 264.302 4 ↓
Hi High (pH 8-9.5) -3.59 -12.11 -17.04 8 8 0 148 263.294 4 ↓
Hi High (pH 8-9.5) -3.59 -11.06 -47.02 9 8 1 153 264.302 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 50 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 116 0.54 Binding ≤ 1μM
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 116 0.54 Binding ≤ 10μM

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