UCSF

ZINC44169885

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 Yes

Popular Name: 2-amino-9-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]-1H-purin-6-o 2-amino-9-[(2R,3S,4R,5R)-3,4-dih…

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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) -2.53 -5.02 -22.64 6 10 0 160 297.271 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100497-1-O Bovine Viral Diarrhea Virus (cluster #1 Of 3), Other Other 1700 0.38 Functional ≤ 10μM
Z50642-1-O Yellow Fever Virus (cluster #1 Of 1), Other Other 1000 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100497 Z100497 Bovine Viral Diarrhea Virus 1700 0.38 Functional ≤ 10μM
Z50642 Z50642 Yellow Fever Virus 1000 0.40 Functional ≤ 10μM

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