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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20890478
20890478

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Popular Name: N-methyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-phenyl-acetamide N-methyl-2-[(2S)-3-oxo-4H-1,4-be…

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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) 1.62 6.96 -13.1 1 5 0 59 296.326 3 ↓

Analogs

20890475
20890475

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Popular Name: N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-phenyl-acetamide N-methyl-2-[(2R)-3-oxo-4H-1,4-be…

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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) 1.62 6.95 -13.03 1 5 0 59 296.326 3 ↓

Analogs

20893686
20893686

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Popular Name: N-(4-methyl-3-nitro-phenyl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide N-(4-methyl-3-nitro-phenyl)-2-[(…

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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) 2.38 6.33 -23.95 2 8 0 113 341.323 4 ↓

Analogs

20893683
20893683

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Popular Name: N-(4-methyl-3-nitro-phenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide N-(4-methyl-3-nitro-phenyl)-2-[(…

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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) 2.38 6.4 -24.06 2 8 0 113 341.323 4 ↓

Analogs

20894251
20894251

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Popular Name: N-(3-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide N-(3-fluorophenyl)-2-[(2S)-3-oxo…

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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) 2.19 5.17 -14.02 2 5 0 67 300.289 3 ↓

Analogs

20894248
20894248

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Popular Name: N-(3-fluorophenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide N-(3-fluorophenyl)-2-[(2R)-3-oxo…

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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) 2.19 5.19 -17.89 2 5 0 67 300.289 3 ↓

Analogs

20899091
20899091

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Popular Name: N-(4-butylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide N-(4-butylphenyl)-2-[(2S)-3-oxo-…

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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 8.11 -14.66 2 5 0 67 338.407 6 ↓

Analogs

20899089
20899089

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Popular Name: N-(4-butylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide N-(4-butylphenyl)-2-[(2R)-3-oxo-…

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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 8.11 -14.83 2 5 0 67 338.407 6 ↓

Analogs

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Popular Name: N-(3-methanesulfonamido-4-methoxy-phenyl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide N-(3-methanesulfonamido-4-methox…

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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) 1.26 1.29 -50.61 2 9 -1 125 404.424 6 ↓
Lo Low (pH 4.5-6) 1.26 1.25 -17.2 3 9 0 123 405.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methanesulfonamido-4-methoxy-phenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide N-(3-methanesulfonamido-4-methox…

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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) 1.26 1.29 -50.31 2 9 -1 125 404.424 6 ↓
Lo Low (pH 4.5-6) 1.26 1.25 -17.37 3 9 0 123 405.432 6 ↓

Parameters Provided:

ring.id = 76141
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 = 76141 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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