UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-methyl-6-[(4-thiazol-2-ylpiperazin-1-yl)methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[(4-thiazol-2-ylpiper…

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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) 0.08 4.39 -15.96 1 8 0 83 331.405 3 ↓
Mid Mid (pH 6-8) 0.08 6.58 -64.16 2 8 1 84 332.413 3 ↓
Mid Mid (pH 6-8) 0.54 3.8 -50.26 1 8 0 87 331.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-6-[[4-(4-methylthiazol-2-yl)piperazin-1-yl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[4-(4-methylthiazol-…

Find On: PubMed — Wikipedia — Google

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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) 0.31 4.99 -15.27 1 8 0 83 345.432 3 ↓
Mid Mid (pH 6-8) 0.31 7.17 -62.99 2 8 1 84 346.44 3 ↓
Mid Mid (pH 6-8) 0.76 4.56 -48.18 1 8 0 87 345.432 3 ↓

Parameters Provided:

ring.id = 24991
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 = 24991 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=24991&filter.purchasability=annotated

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