UCSF

ZINC01078595

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 17 Yes

Popular Name: 6-AZAURIDINE 6-AZAURIDINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 54-25-1 , [54-25-1]

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) -2.30 -9.02 -17.18 4 9 0 138 245.191 2 ↓
Hi High (pH 8-9.5) -1.84 -11.7 -53.51 3 9 -1 141 244.183 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 158 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0586523A1; US3954752; US5213972; US5728684; WO1992020816A1 IBM Patent Data
Patent Database Links EP1749516; EP1759713; US2007248537 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : A1882 NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: A1882 NIH Clinical Collection via PubChem
UniProt Database Links UCK1_HUMAN; UCK1_MOUSE; UCK2_HUMAN; UCK2_MOUSE; UCK2_RAT ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50641-1-O West Nile Virus (cluster #1 Of 2), Other Other 1200 0.49 Functional ≤ 10μM
Z50678-2-O Respiratory Syncytial Virus (cluster #2 Of 2), Other Other 1200 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50678 Z50678 Respiratory Syncytial Virus 1000 0.49 Functional ≤ 10μM
Z50641 Z50641 West Nile Virus 1200 0.49 Functional ≤ 10μM

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