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Popular Name: 3-[(4-benzylpiperazin-1-yl)methyl]-1,2,3-benzotriazine-4-thione 3-[(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) 2.56 8.92 -39.76 1 5 1 38 352.487 4 ↓
Mid Mid (pH 6-8) 2.56 6.67 -10.71 0 5 0 37 351.479 4 ↓
Mid Mid (pH 6-8) 2.56 9.02 -35.37 1 5 1 38 352.487 4 ↓

Parameters Provided:

ring.id = 123313
filter.purchasability = annotated
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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 = 123313 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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