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Popular Name: 3-[[3-[2-(ethylamino)-4-pyridyl]-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-isothiourea 3-[[3-[2-(ethylamino)-4-pyridyl]…

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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) 0.65 4.29 -47.1 5 7 1 92 292.392 6 ↓
Hi High (pH 8-9.5) 1.15 4.6 -96.43 4 7 -1 94 290.376 4 ↓
Hi High (pH 8-9.5) 1.15 5.19 -41.28 5 7 0 95 291.384 4 ↓

Parameters Provided:

ring.id = 509377
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 = 509377 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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