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Popular Name: 2-[[(3R,5S)-4-phenyl-5-(4-pyridyl)-1,2,4-triazolidin-3-yl]sulfanyl]-N-[(3R)-3H-1,2,4-triazol-3-yl]ac 2-[[(3R,5S)-4-phenyl-5-(4-pyridy…

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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) 0.98 5.26 -42.25 3 9 -1 117 381.445 6 ↓
Ref Reference (pH 7) 0.98 3.05 -10.75 4 9 0 114 382.453 6 ↓
Mid Mid (pH 6-8) 0.98 5.72 -57.96 4 9 0 118 382.453 6 ↓

Parameters Provided:

ring.id = 596697
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 = 596697 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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