UCSF

ZINC06096461

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 28 Yes

Popular Name: 5-benzyloxybenzylacyclouridine 5-benzyloxybenzylacyclouridine

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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) 2.15 -3.95 -26.22 2 7 0 93 382.416 9 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.09e-03 g/l DrugBank-experimental

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
UPP1-1-E Uridine Phosphorylase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 84 0.35 Binding ≤ 10μM
UPP2-1-E Uridine Phosphorylase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 84 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
UPP1_MOUSE P52624 Uridine Phosphorylase 1, Mouse 84 0.35 Binding ≤ 1μM
UPP2_MOUSE Q8CGR7 Uridine Phosphorylase 2, Mouse 84 0.35 Binding ≤ 1μM
UPP1_MOUSE P52624 Uridine Phosphorylase 1, Mouse 84 0.35 Binding ≤ 10μM
UPP2_MOUSE Q8CGR7 Uridine Phosphorylase 2, Mouse 84 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pyrimidine catabolism
Pyrimidine salvage reactions

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