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Popular Name: dimethoxy(methyl)BLAHol dimethoxy(methyl)BLAHol

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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) 6.07 10.65 -58.23 3 9 1 104 595.672 2 ↓
Hi High (pH 8-9.5) 6.07 9.11 -64.86 1 9 -1 105 593.656 2 ↓
Mid Mid (pH 6-8) 6.07 8.28 -19.15 2 9 0 103 594.664 2 ↓

Parameters Provided:

ring.id = 75777
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 = 75777 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=75777&filter.purchasability=annotated

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