UCSF

ZINC36159095

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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,2R,3S,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]ami N-[(1S,2R)-2-hydroxy-2-phenyl-1-…

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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) 2.61 0.74 -56.48 8 8 1 147 481.654 15 ↓
Hi High (pH 8-9.5) 2.61 -0.54 -13.94 7 8 0 142 480.646 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 5000 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLCM_MOUSE P17439 Beta-glucocerebrosidase, Mouse 5000 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycosphingolipid metabolism

Rings

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