UCSF

ZINC17174506

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 17 Yes

Popular Name: 4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one 4-Amino-1-((2R,3S,4R,5R)-3-fluor…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10212-20-1 , 56632-83-8 , [56632-83-8]

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) -1.96 -5.18 -30.73 4 7 0 111 245.21 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 167 TCI
PUBCHEM_PATENT_ID EP0552178A1; EP0552178B1; EP0670897A1; EP0828849A1; EP0837933A1; EP0918787A1; EP0928290A1; EP0957929A1; EP1009860A1; EP1030935A1; EP1035870A1; EP1038027A1; EP1042348A1; US5672695; US5698687; US5789573; US5817635; US5856085; US5859221; US5872232; US5872242 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 114 0.57 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50643 Z50643 Hepatitis C Virus 114 0.57 Functional ≤ 10μM

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