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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (7Z)-3-(2-methoxyethyl)-9-methyl-7-(2-thienylmethylene)-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) 3.11 5.53 -9.89 0 5 0 52 357.431 4 ↓
Lo Low (pH 4.5-6) 3.11 8.41 -45.72 1 5 1 53 358.439 4 ↓

Analogs

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Popular Name: (7Z)-3-(3-methoxypropyl)-9-methyl-7-(2-thienylmethylene)-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) 3.38 6.23 -9.5 0 5 0 52 371.458 5 ↓
Lo Low (pH 4.5-6) 3.38 9.08 -49.28 1 5 1 53 372.466 5 ↓

Analogs

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

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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) 4.25 8.2 -7.79 0 4 0 43 355.459 3 ↓
Mid Mid (pH 6-8) 4.25 10.68 -45.67 1 4 1 44 356.467 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-(2-methoxyethyl)-9-methyl-7-[(3-methyl-2-thienyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzox (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) 3.48 6.13 -10.09 0 5 0 52 371.458 4 ↓
Lo Low (pH 4.5-6) 3.48 9.02 -45.88 1 5 1 53 372.466 4 ↓

Analogs

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Popular Name: (7Z)-3-isopropyl-9-methyl-7-[(3-methyl-2-thienyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6- (7Z)-3-isopropyl-9-methyl-7-[(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) 4.17 7.37 -7.87 0 4 0 43 355.459 2 ↓
Mid Mid (pH 6-8) 4.17 10.36 -42.95 1 4 1 44 356.467 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-(3-methoxypropyl)-9-methyl-7-[(3-methyl-2-thienyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzo (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) 3.75 6.82 -9.56 0 5 0 52 385.485 5 ↓
Lo Low (pH 4.5-6) 3.75 9.69 -49.35 1 5 1 53 386.493 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-isobutyl-9-methyl-7-[(3-methyl-2-thienyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-o (7Z)-3-isobutyl-9-methyl-7-[(3-m…

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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) 4.62 8.77 -7.62 0 4 0 43 369.486 3 ↓
Mid Mid (pH 6-8) 4.62 11.3 -45.51 1 4 1 44 370.494 3 ↓

Parameters Provided:

ring.id = 550646
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 = 550646 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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