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

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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) 2.35 6.13 -8.4 0 5 0 56 334.375 2 ↓
Mid Mid (pH 6-8) 2.35 9.09 -45.25 1 5 1 57 335.383 2 ↓

Analogs

13722697
13722697
20648817
20648817
13691465
13691465

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopropyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-(3-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) 1.98 5.48 -8.48 0 5 0 56 320.348 2 ↓
Mid Mid (pH 6-8) 1.98 8.45 -45.42 1 5 1 57 321.356 2 ↓

Parameters Provided:

ring.id = 559885
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 = 559885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=559885&filter.purchasability=annotated

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