UCSF

ZINC38152252

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 36 No

Popular Name: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy- [[(2R,3S,4R,5R)-3,4-dihydroxy-5-…

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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) -4.90 -11.42 -159.28 7 18 -2 286 580.354 9 ↓

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 49 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2Y14_HUMAN Q15391 Purinergic Receptor P2Y14, Human 11 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
P2Y receptors

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

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