UCSF

ZINC01124348

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 26 Yes

Popular Name: N-(5-methylisoxazol-3-yl)-4-(tosylamino)benzamide N-(5-methylisoxazol-3-yl)-4-(tos…

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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) 2.87 5.8 -15.38 2 7 0 101 371.418 5 ↓

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 168 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLCM_HUMAN P04062 Beta-glucocerebrosidase, Human 102 0.38 Binding ≤ 1μM
GLCM_HUMAN P04062 Beta-glucocerebrosidase, Human 102 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycosphingolipid metabolism

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

No pre-computed analogs available. Try a structural similarity search.