UCSF

ZINC24530552

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 39 No

Popular Name: UDP-N-acetyl-alpha-D-galactosamine UDP-N-acetyl-alpha-D-galactosamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7277-98-7 , [108320-87-2]

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) -5.18 -12.22 -154.65 7 20 -2 312 605.339 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.14e+01 g/l DrugBank-experimental
UniProt Database Links CGAT1_HUMAN; CGAT1_MOUSE; CGAT2_HUMAN; CGAT2_MOUSE; TUAA_BACSU ChEBI
UniProt Database Links GBGT1_CANFA; GBGT1_MOUSE; GNE_ECO57; PGLA_CAMJE; PGLH_CAMJE; PGLJ_CAMJE; UAP1_ARATH; UAP1_HUMAN; UAP1_MOUSE; UAP2_ARATH ChEBI
Reactome Database Links REACT_115586; REACT_120769; REACT_121192; REACT_22299 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P2Y14-1-E P2Y Purinoceptor 14 (cluster #1 Of 2), Eukaryotic Eukaryotes 810 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2Y14_HUMAN Q15391 Purinergic Receptor P2Y14, Human 810 0.22 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Chondroitin sulfate biosynthesis
O-linked glycosylation of mucins
Transport of nucleotide sugars

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
P2Y receptors

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