UCSF

ZINC36351334

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 Yes

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

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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) -4.51 -13.27 -42.19 10 9 1 170 294.328 5 ↓
Hi High (pH 8-9.5) -4.51 -13.61 -14.45 9 9 0 168 293.32 5 ↓
Mid Mid (pH 6-8) -4.51 -12.61 -44.15 10 9 1 173 294.328 5 ↓

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 56 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 19 0.54 Binding ≤ 1μM
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 19 0.54 Binding ≤ 10μM

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