UCSF

ZINC32067504

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 27 No

Popular Name: [[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[(2S,3R,4S,5S)-5-(6-aminopurin-…

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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) -2.47 -4.42 -126.65 5 14 -2 229 423.215 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5NTD-1-E 5'-nucleotidase (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5NTD_RAT P21588 5'-nucleotidase, Rat 0.87 0.47 Binding ≤ 1μM
5NTD_RAT P21588 5'-nucleotidase, Rat 0.87 0.47 Binding ≤ 10μM

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