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Popular Name: 2-[(4-benzylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one 2-[(4-benzylpiperazin-1-yl)methy…

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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) 2.19 11.67 -42.79 1 7 1 60 375.456 4 ↓
Mid Mid (pH 6-8) 2.19 9.42 -9.6 0 7 0 59 374.448 4 ↓
Mid Mid (pH 6-8) 2.19 11.88 -38.25 1 7 1 60 375.456 4 ↓

Parameters Provided:

ring.id = 172627
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 = 172627 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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