UCSF

ZINC08551096

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 36 No

Popular Name: [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[hydroxy-[3,4,5-trihydroxy-6 [5-(2,4-dioxopyrimidin-1-yl)-3,4…

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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) -5.03 -13.9 -143.15 7 19 -2 303 564.286 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 588 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2Y14_HUMAN Q15391 Purinergic Receptor P2Y14, Human 588 0.24 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
P2Y receptors

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