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

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide N-(2,5-dimethoxyphenyl)-N,6-dime…

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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) 2.39 2.35 -14.84 1 8 0 94 392.433 5 ↓

Analogs

20491702
20491702

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Popular Name: N-(2-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide N-(2-methoxyphenyl)-6-methyl-3-o…

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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) 2.11 1.83 -12.41 2 7 0 94 348.38 4 ↓
Hi High (pH 8-9.5) 2.11 1.78 -47.63 1 7 -1 96 347.372 4 ↓

Analogs

8588753
8588753

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Popular Name: BRD-K81824559-001-08-8 BRD-K81824559-001-08-8

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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) 2.53 3.13 -12.45 2 6 0 85 332.381 3 ↓
Hi High (pH 8-9.5) 2.53 3.12 -45.55 1 6 -1 87 331.373 3 ↓

Analogs

21108471
21108471

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Popular Name: 6-methyl-3-oxo-N-(p-tolyl)-4H-1,4-benzoxazine-7-sulfonamide 6-methyl-3-oxo-N-(p-tolyl)-4H-1,…

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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) 2.55 2.71 -13 2 6 0 85 332.381 3 ↓
Hi High (pH 8-9.5) 2.55 3.12 -45.21 1 6 -1 87 331.373 3 ↓

Analogs

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Popular Name: N,6-dimethyl-3-oxo-N-(p-tolyl)-4H-1,4-benzoxazine-7-sulfonamide N,6-dimethyl-3-oxo-N-(p-tolyl)-4…

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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) 2.80 4.19 -11.95 1 6 0 76 346.408 3 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide N-(3-acetylphenyl)-6-methyl-3-ox…

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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) 1.98 2.52 -18.35 2 7 0 102 360.391 4 ↓
Mid Mid (pH 6-8) 1.98 2.83 -48.33 1 7 -1 104 359.383 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.65 3.6 -16.06 2 8 0 111 390.417 6 ↓
Mid Mid (pH 6-8) 2.65 4.01 -42.62 1 8 -1 113 389.409 6 ↓

Analogs

20491619
20491619

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Popular Name: 6-methyl-N-(o-tolyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide 6-methyl-N-(o-tolyl)-3-oxo-4H-1,…

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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) 2.50 3.23 -12.5 2 6 0 85 332.381 3 ↓
Hi High (pH 8-9.5) 2.50 3.21 -44.47 1 6 -1 87 331.373 3 ↓

Analogs

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Popular Name: N-ethyl-6-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-sulfonamide N-ethyl-6-methyl-3-oxo-N-phenyl-…

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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 4.37 -12.62 1 6 0 76 346.408 4 ↓

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide N-(2,3-dimethylphenyl)-6-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) 2.91 3.71 -12.56 2 6 0 85 346.408 3 ↓
Hi High (pH 8-9.5) 2.91 3.76 -45.69 1 6 -1 87 345.4 3 ↓

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide N-(3,5-dimethoxyphenyl)-6-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) 2.15 0.63 -14.96 2 8 0 103 378.406 5 ↓
Mid Mid (pH 6-8) 2.15 1.05 -49.4 1 8 -1 105 377.398 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide N-(3-methoxyphenyl)-6-methyl-3-o…

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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) 2.14 1.32 -14.31 2 7 0 94 348.38 4 ↓

Analogs

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Popular Name: N-allyl-6-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-sulfonamide N-allyl-6-methyl-3-oxo-N-phenyl-…

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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) 2.99 5 -12.44 1 6 0 76 358.419 5 ↓

Parameters Provided:

ring.id = 255838
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 = 255838 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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