UCSF

ZINC03979739

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 16 Yes

Popular Name: CCCCCN1C[C@@H]([C@H]([C@@H]([C@@H]1CO)O)O)O CCCCCN1C[C@@H]([C@H]([C@@H]([C@@…

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) -0.21 -6.56 -30.7 5 5 1 85 234.316 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 250 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GBA2_HUMAN Q9HCG7 Beta-glucosidase, Human 250 0.58 Binding ≤ 1μM
GBA2_HUMAN Q9HCG7 Beta-glucosidase, Human 250 0.58 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycosphingolipid metabolism

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