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Analogs

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Popular Name: (2Z)-8-cyclopentyl-4-methyl-2-(4-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopentyl-4-methyl-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) 3.34 7.52 -7.99 0 5 0 56 362.429 2 ↓
Mid Mid (pH 6-8) 3.34 10.28 -45.82 1 5 1 57 363.437 2 ↓
Lo Low (pH 4.5-6) 3.34 10.76 -99.84 2 5 2 58 364.445 2 ↓

Analogs

13692898
13692898
13735017
13735017
20649708
20649708

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopentyl-2-(4-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopentyl-2-(4-pyridylm…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.96 6.88 -8.1 0 5 0 56 348.402 2 ↓
Mid Mid (pH 6-8) 2.96 9.64 -46.07 1 5 1 57 349.41 2 ↓
Lo Low (pH 4.5-6) 2.96 10.12 -100.01 2 5 2 58 350.418 2 ↓

Parameters Provided:

ring.id = 561023
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 = 561023 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=561023&filter.purchasability=annotated

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