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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: 2-chloro-6,8-dimethoxy-7-propyl-pyrrolo[2,1-b][1,3]benzoxazin-9-one 2-chloro-6,8-dimethoxy-7-propyl-…

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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) 4.04 8.12 -7.61 0 5 0 53 321.76 4 ↓

Analogs

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Popular Name: (2-chloro-8-hydroxy-9-oxo-7-propyl-pyrrolo[2,1-b][1,3]benzoxazin-6-yl) (2-chloro-8-hydroxy-9-oxo-7-prop…

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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) 3.14 5.29 -11.9 1 8 0 101 400.84 5 ↓
Hi High (pH 8-9.5) 3.14 6.29 -41.23 0 8 -1 104 399.832 5 ↓

Analogs

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Popular Name: 2-chloro-6,8-dihydroxy-9-oxo-7-propyl-pyrrolo[2,1-b][1,3]benzoxazine-1-carboxamide 2-chloro-6,8-dihydroxy-9-oxo-7-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) 2.75 0.35 -14.61 4 7 0 118 336.731 3 ↓
Hi High (pH 8-9.5) 2.75 1.35 -51.19 3 7 -1 121 335.723 3 ↓
Hi High (pH 8-9.5) 2.75 1.13 -39.68 3 7 -1 121 335.723 3 ↓

Analogs

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Popular Name: pyrrolo[2,1-b][1,3]benzoxazin-9-one pyrrolo[2,1-b][1,3]benzoxazin-9-one

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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) 2.18 5.5 -9.4 0 3 0 35 185.182 0 ↓

Analogs

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Popular Name: 6-methoxypyrrolo[2,1-b][1,3]benzoxazin-9-one 6-methoxypyrrolo[2,1-b][1,3]benz…

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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) 2.21 4.78 -8.52 0 4 0 44 215.208 1 ↓

Analogs

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Popular Name: 2-chloro-1-(dimethylaminomethyl)-6,8-dihydroxy-7-propyl-pyrrolo[2,1-b][1,3]benzoxazin-9-one 2-chloro-1-(dimethylaminomethyl)…

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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) 3.74 5.63 -33.03 3 6 1 80 351.81 4 ↓
Hi High (pH 8-9.5) 3.74 3.05 -8.57 2 6 0 78 350.802 4 ↓

Analogs

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Popular Name: 3-cyclohexyl-2-cyclohexylimino-5,6-diphenyl-1,3-oxazin-4-one 3-cyclohexyl-2-cyclohexylimino-5…

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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) 3.74 14.28 -30.26 1 4 1 46 429.584 5 ↓

Analogs

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Popular Name: 6-chloro-2-(4-methoxyphenyl)-1,3-benzoxazin-4-one 6-chloro-2-(4-methoxyphenyl)-1,3…

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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) 3.91 4.24 -12.47 0 4 0 52 287.702 2 ↓
Mid Mid (pH 6-8) 3.91 5.6 -30.07 1 4 1 54 288.71 2 ↓

Parameters Provided:

ring.id = 14267
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 = 14267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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