UCSF

ZINC13677758

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 No

Popular Name: [(1S,3S,4R,5S)-1-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-bicyclo[3.1.0]hexanyl]methyl [(1S,3S,4R,5S)-1-(2,4-dioxopyrim…

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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) -2.71 -0.44 -242.35 2 12 -3 197 395.177 6 ↓
Mid Mid (pH 6-8) -2.71 -1.6 -124.48 3 12 -2 194 396.185 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P2RY6-1-E Pyrimidinergic Receptor P2Y6 (cluster #1 Of 1), Eukaryotic Eukaryotes 230 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2RY6_HUMAN Q15077 Pyrimidinergic Receptor P2Y6, Human 230 0.37 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
P2Y receptors

Rings

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

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