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Popular Name: 1-piperazin-1-yl-3-(9H-purin-6-ylsulfanyl)propan-1-one 1-piperazin-1-yl-3-(9H-purin-6-y…

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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) -0.54 5.14 -62.35 3 7 1 91 293.376 4 ↓
Hi High (pH 8-9.5) -0.54 3.37 -43.34 1 7 -1 85 291.36 4 ↓
Hi High (pH 8-9.5) -0.54 3.9 -16.23 2 7 0 87 292.368 4 ↓

Parameters Provided:

ring.id = 39142
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 = 39142 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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