UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38599576
38599576
49792598
49792598
49792599
49792599
27875487
27875487
27875499
27875499

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Popular Name: (2S,3S,4R,5S)-2-(6-chloro-4-hydroxy-pyrazolo[3,4-d]pyrimidin-2-yl)-5-(hydroxymethyl)tetrahydrofuran- (2S,3S,4R,5S)-2-(6-chloro-4-hydr…

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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) -0.17 -7.87 -50.42 3 9 -1 137 301.666 2 ↓

Analogs

49792598
49792598
49792599
49792599
38599574
38599574
27875487
27875487
27875499
27875499

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5S)-2-(6-chloro-4-hydroxy-pyrazolo[3,4-d]pyrimidin-2-yl)-5-(hydroxymethyl)tetrahydrofuran- (2R,3S,4R,5S)-2-(6-chloro-4-hydr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.17 -7.62 -58.08 3 9 -1 137 301.666 2 ↓

Parameters Provided:

ring.id = 597062
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 = 597062 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=597062&filter.purchasability=annotated

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