UCSF

ZINC28342000

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 30 No

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

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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) 0.28 -0.33 -25.24 5 12 0 166 416.394 4 ↓
Hi High (pH 8-9.5) 0.28 0.34 -61 4 12 -1 169 415.386 4 ↓

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 1800 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50643 Z50643 Hepatitis C Virus 1800 0.27 Functional ≤ 10μM

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