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Analogs

15882033
15882033

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Popular Name: 2-[(6-methyl-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl)sulfanyl]-N-(4-phenylthiazol-2-yl)ac 2-[(6-methyl-7-oxo-8H-[1,2,4]tri…

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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) 2.10 7.28 -46.74 1 9 -1 121 398.453 5 ↓
Hi High (pH 8-9.5) 2.29 6.21 -89.85 0 9 -2 127 397.445 5 ↓

Analogs

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Popular Name: 2-[(6-tert-butyl-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl)sulfanyl]-N-[4-(p-tolyl)thiazol- 2-[(6-tert-butyl-7-oxo-8H-[1,2,4…

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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) 4.27 9.88 -47.5 1 9 -1 121 454.561 6 ↓
Hi High (pH 8-9.5) 4.46 8.8 -91.91 0 9 -2 127 453.553 6 ↓

Parameters Provided:

ring.id = 115166
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 = 115166 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=115166&filter.purchasability=annotated

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