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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: (2S)-N-(4-bromo-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (2S)-N-(4-bromo-2-methyl-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) 3.28 3.68 -10.76 2 6 0 85 411.277 3 ↓
Mid Mid (pH 6-8) 3.28 3.73 -39.07 1 6 -1 87 410.269 3 ↓

Analogs

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Popular Name: methyl 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) 1.90 2.32 -16.81 2 8 0 111 362.363 5 ↓
Mid Mid (pH 6-8) 1.90 2.39 -37.49 1 8 -1 113 361.355 5 ↓

Analogs

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Popular Name: N-(2-fluoro-5-methyl-phenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(2-fluoro-5-methyl-phenyl)-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) 2.27 2.35 -12.1 2 6 0 85 336.344 3 ↓
Mid Mid (pH 6-8) 2.27 2.51 -48.24 1 6 -1 87 335.336 3 ↓

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(2,4-dimethoxyphenyl)-N-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) 2.01 1.94 -13.5 1 8 0 94 378.406 5 ↓

Analogs

6778785
6778785

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Popular Name: N-(2,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(2,4-dimethylphenyl)-3-oxo-4H-…

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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 3.06 -11.46 2 6 0 85 332.381 3 ↓
Hi High (pH 8-9.5) 2.55 3.12 -44.69 1 6 -1 87 331.373 3 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(2,5-dimethylphenyl)-3-oxo-4H-…

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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 3.04 -11.52 2 6 0 85 332.381 3 ↓
Hi High (pH 8-9.5) 2.55 3.1 -45.02 1 6 -1 87 331.373 3 ↓

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(2,3-dimethylphenyl)-3-oxo-4H-…

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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 2.93 -11.63 2 6 0 85 332.381 3 ↓
Hi High (pH 8-9.5) 2.53 3 -45.22 1 6 -1 87 331.373 3 ↓

Analogs

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Popular Name: N-isopropyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide N-isopropyl-3-oxo-N-phenyl-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) 2.65 4.36 -12.29 1 6 0 76 346.408 4 ↓

Analogs

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Popular Name: N-(2-ethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(2-ethylphenyl)-3-oxo-4H-1,4-b…

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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) 2.60 3.13 -11.38 2 6 0 85 332.381 4 ↓
Hi High (pH 8-9.5) 2.60 3.19 -43.82 1 6 -1 87 331.373 4 ↓

Analogs

6778798
6778798

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Popular Name: N-(2-ethyl-6-methyl-phenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(2-ethyl-6-methyl-phenyl)-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) 3.00 3.76 -10.69 2 6 0 85 346.408 4 ↓
Hi High (pH 8-9.5) 3.00 4.35 -38.95 1 6 -1 87 345.4 4 ↓

Analogs

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Popular Name: N-(2-isopropylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(2-isopropylphenyl)-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) 2.72 3.65 -11.23 2 6 0 85 346.408 4 ↓
Hi High (pH 8-9.5) 2.72 3.72 -44.56 1 6 -1 87 345.4 4 ↓

Analogs

32095292
32095292

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Popular Name: N-(3-chloro-2-methyl-phenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(3-chloro-2-methyl-phenyl)-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) 2.76 2.8 -11.56 2 6 0 85 352.799 3 ↓
Mid Mid (pH 6-8) 2.76 2.87 -39.83 1 6 -1 87 351.791 3 ↓

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(4-bromo-2-methyl-phenyl)-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) 2.91 3 -11.3 2 6 0 85 397.25 3 ↓
Mid Mid (pH 6-8) 2.91 3.05 -39.56 1 6 -1 87 396.242 3 ↓

Analogs

12816309
12816309

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Popular Name: N-(2,4-difluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(2,4-difluorophenyl)-3-oxo-4H-…

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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 1.74 -11.5 2 6 0 85 340.307 3 ↓
Mid Mid (pH 6-8) 1.98 1.91 -42.22 1 6 -1 87 339.299 3 ↓

Analogs

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Popular Name: N-(2,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(2,4-dichlorophenyl)-3-oxo-4H-…

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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) 3.01 2.75 -37.21 1 6 -1 87 372.209 3 ↓
Mid Mid (pH 6-8) 3.01 2.68 -10.35 2 6 0 85 373.217 3 ↓

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(4-chloro-2-methoxy-5-methyl-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) 2.77 2.08 -11.56 2 7 0 94 382.825 4 ↓
Hi High (pH 8-9.5) 2.77 2.11 -43.43 1 7 -1 96 381.817 4 ↓

Analogs

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Popular Name: 3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-6-sulfonamide 3-oxo-N-(2,3,4-trifluorophenyl)-…

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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) 2.08 1.87 -36.19 1 6 -1 87 357.289 3 ↓
Mid Mid (pH 6-8) 2.08 1.81 -12.78 2 6 0 85 358.297 3 ↓

Analogs

6873427
6873427

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Popular Name: N-(3,4-difluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide N-(3,4-difluorophenyl)-3-oxo-4H-…

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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 1.76 -15.62 2 6 0 85 340.307 3 ↓
Mid Mid (pH 6-8) 1.98 1.8 -39.68 1 6 -1 87 339.299 3 ↓

Parameters Provided:

ring.id = 31013
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 = 31013 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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