UCSF

ZINC40915440

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 31 No

Popular Name: [[(1S,3S,5S)-3-(2-amino-6-oxo-1H-purin-9-yl)-5-hydroxy-2-methylene-cyclopentoxy]-hydroxy-phosphoryl] [[(1S,3S,5S)-3-(2-amino-6-oxo-1H…

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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) -4.12 0.98 -376.78 4 17 -4 281 499.162 7 ↓
Mid Mid (pH 6-8) -4.12 -0.17 -237.78 5 17 -3 278 500.17 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50606-1-O Hepatitis B Virus (cluster #1 Of 3), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50606 Z50606 Hepatitis B Virus 0.43 0.42 Functional ≤ 10μM

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