UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-amino-2-(4-fluorophenyl)-7-methyl-1h-purin-6(7h)-one 1-amino-2-(4-fluorophenyl)-7-met…

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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) 1.07 6.63 -12.67 2 6 0 79 259.244 1 ↓

Analogs

40764349
40764349
40764451
40764451

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Popular Name: 2-amino-7-[(Z)-[(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclopropylidene]methyl]purin-6-ol 2-amino-7-[(Z)-[(2R,3S)-2-fluoro…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50604-1-O Murid Herpesvirus 1 (cluster #1 Of 1), Other Other 2500 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50604 Z50604 Murid Herpesvirus 1 2500 0.44 Functional ≤ 10μM

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) -0.93 2.92 -15.05 4 7 0 110 251.221 2 ↓

Parameters Provided:

ring.id = 502915
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 502915 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=502915&filter.purchasability=annotated

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