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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: (2Z)-8-(2-methoxyethyl)-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(2-methoxyethyl)-4-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) 1.97 4.69 -10.63 0 6 0 65 352.39 4 ↓
Lo Low (pH 4.5-6) 1.97 7.52 -48.39 1 6 1 66 353.398 4 ↓

Analogs

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Popular Name: (2Z)-8-isopropyl-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-isopropyl-4-methyl-2-(3-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) 2.66 5.9 -8.36 0 5 0 56 336.391 2 ↓
Mid Mid (pH 6-8) 2.66 8.88 -45.47 1 5 1 57 337.399 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(3-methoxypropyl)-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(3-methoxypropyl)-4-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) 2.24 5.35 -10.09 0 6 0 65 366.417 5 ↓
Lo Low (pH 4.5-6) 2.24 8.2 -51.97 1 6 1 66 367.425 5 ↓

Analogs

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Popular Name: (2Z)-8-isobutyl-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-isobutyl-4-methyl-2-(3-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) 3.11 7.48 -8.39 0 5 0 56 350.418 3 ↓
Mid Mid (pH 6-8) 3.11 9.77 -48.17 1 5 1 57 351.426 3 ↓

Analogs

13722697
13722697
20648817
20648817
13691465
13691465

Draw Identity 99% 90% 80% 70%

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

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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) 1.60 4.01 -10.65 0 6 0 65 338.363 4 ↓
Lo Low (pH 4.5-6) 1.60 6.88 -48.71 1 6 1 66 339.371 4 ↓

Analogs

13722697
13722697
20648817
20648817
20649243
20649243

Draw Identity 99% 90% 80% 70%

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

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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) 2.28 5.24 -8.42 0 5 0 56 322.364 2 ↓
Mid Mid (pH 6-8) 2.28 8.22 -45.71 1 5 1 57 323.372 2 ↓

Analogs

20648817
20648817
13722697
13722697
13691465
13691465

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(3-methoxypropyl)-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(3-methoxypropyl)-2-(3-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) 1.87 4.69 -10.19 0 6 0 65 352.39 5 ↓
Lo Low (pH 4.5-6) 1.87 7.55 -52.18 1 6 1 66 353.398 5 ↓

Analogs

13722697
13722697
20648817
20648817
13690910
13690910

Draw Identity 99% 90% 80% 70%

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

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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 6.64 -8.5 0 5 0 56 336.391 3 ↓
Mid Mid (pH 6-8) 2.73 9.15 -48.42 1 5 1 57 337.399 3 ↓

Parameters Provided:

ring.id = 559887
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 = 559887 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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