UCSF

ZINC13560595

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 21 Yes

Popular Name: 2-Amino-9-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)-1H-purin-6(9H)-one 2-Amino-9-((2R,3R,4R,5R)-3,4-dih…

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CAS Numbers: 374750-30-8 , [374750-30-8]

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) -2.53 -4.49 -21.2 6 10 0 160 297.271 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8JXU8-1-V Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #1 Of 1), Viral Viruses 130 0.46 Functional ≤ 10μM
Z100497-1-O Bovine Viral Diarrhea Virus (cluster #1 Of 3), Other Other 4000 0.36 Functional ≤ 10μM
Z101896-1-O Mammalian Orthoreovirus 1 (cluster #1 Of 1), Other Other 2400 0.37 Functional ≤ 10μM
Z50642-1-O Yellow Fever Virus (cluster #1 Of 1), Other Other 1800 0.38 Functional ≤ 10μM
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 130 0.46 Functional ≤ 10μM
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 3500 0.36 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
Z50643 Z50643 Hepatitis C Virus 130 0.46 Functional ≤ 10μM
Q8JXU8_9HEPC Q8JXU8 Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc 130 0.46 Functional ≤ 10μM
Z101896 Z101896 Mammalian Orthoreovirus 1 2400 0.37 Functional ≤ 10μM
Z50642 Z50642 Yellow Fever Virus 1000 0.40 Functional ≤ 10μM

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