UCSF

ZINC36159190

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 34 No

Popular Name: N-[(1S,2R)-2-hydroxy-2-phenyl-1-[[[(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-y N-[(1S,2R)-2-hydroxy-2-phenyl-1-…

Find On: PubMed — Wikipedia — Google

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) 2.43 -1.19 -50.51 8 8 1 147 479.638 15 ↓
Mid Mid (pH 6-8) 2.43 -2.47 -13.29 7 8 0 142 478.63 15 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLCM-1-E Glucosylceramidase (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLCM_MOUSE P17439 Beta-glucocerebrosidase, Mouse 500 0.26 Binding ≤ 1μM
GLCM_MOUSE P17439 Beta-glucocerebrosidase, Mouse 500 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycosphingolipid metabolism

Rings

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