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Analogs

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Popular Name: (7Z)-3-(2-methoxyethyl)-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-(2-methoxyethyl)-9-methyl…

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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) 2.04 5.11 -12.73 0 6 0 65 352.39 4 ↓
Lo Low (pH 4.5-6) 2.04 7.99 -48.2 1 6 1 66 353.398 4 ↓

Analogs

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Popular Name: (7Z)-3-isopropyl-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-isopropyl-9-methyl-7-(2-p…

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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) 2.73 6.34 -10.41 0 5 0 56 336.391 2 ↓
Mid Mid (pH 6-8) 2.73 9.33 -45.36 1 5 1 57 337.399 2 ↓

Analogs

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Popular Name: (7Z)-3-(3-methoxypropyl)-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-(3-methoxypropyl)-9-methy…

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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) 2.31 5.79 -12.25 0 6 0 65 366.417 5 ↓
Lo Low (pH 4.5-6) 2.31 8.66 -51.8 1 6 1 66 367.425 5 ↓

Analogs

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Popular Name: (7Z)-3-isobutyl-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-isobutyl-9-methyl-7-(2-py…

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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) 3.18 7.74 -10.28 0 5 0 56 350.418 3 ↓
Mid Mid (pH 6-8) 3.18 10.26 -48.06 1 5 1 57 351.426 3 ↓

Parameters Provided:

ring.id = 551177
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 = 551177 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=551177&filter.purchasability=annotated

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