UCSF

ZINC40938838

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 16 Yes

Popular Name: DNC013620 DNC013620

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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) -1.38 -5.94 -30.87 6 6 1 106 236.288 4 ↓
Mid Mid (pH 6-8) -1.38 -5.45 -35.26 5 6 0 108 235.28 4 ↓
Mid Mid (pH 6-8) -1.38 -5.38 -28.33 5 6 0 108 235.28 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CEGT-1-E Ceramide Glucosyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 5300 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CEGT_MOUSE O88693 Ceramide Glucosyltransferase, Mouse 5300 0.46 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.