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Popular Name: 4-[[isobutyl(2-pyridylmethyl)amino]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one 4-[[isobutyl(2-pyridylmethyl)ami…

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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) 2.48 9.58 -21.86 0 5 0 43 364.493 7 ↓
Mid Mid (pH 6-8) 2.48 9.74 -37.82 1 5 1 44 365.501 7 ↓
Lo Low (pH 4.5-6) 2.48 12.01 -35.61 1 5 1 44 365.501 7 ↓

Parameters Provided:

ring.id = 400875
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 = 400875 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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