UCSF

ZINC13601808

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 10 Yes

Popular Name: (2R,3R,4S)-2-(hydroxymethyl)piperidine-3,4-diol (2R,3R,4S)-2-(hydroxymethyl)pipe…

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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) -2.07 -6.03 -36.5 5 4 1 77 148.182 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BGAL-1-E Beta-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.77 Binding ≤ 10μM
GLCM-2-E Glucosylceramidase (cluster #2 Of 2), Eukaryotic Eukaryotes 5600 0.74 Binding ≤ 10μM
LPH-1-E Lactase-glycosylceramidase (cluster #1 Of 1), Eukaryotic Eukaryotes 4300 0.75 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 6000 0.73 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BGAL_BOVIN Q58D55 Beta-galactosidase, Bovin 3000 0.77 Binding ≤ 10μM
GLCM_BOVIN Q2KHZ8 Glucosylceramidase, Bovin 5600 0.74 Binding ≤ 10μM
LPH_RAT Q02401 Lactase-glycosylceramidase, Rat 4300 0.75 Binding ≤ 10μM
SUIS_RAT P23739 Sucrase-isomaltase, Rat 6000 0.73 Binding ≤ 10μM

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