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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

41545181
41545181
36365400
36365400
36365402
36365402

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,2-dimethyl-3-oxo-N-(2-pyridyl)-4H-1,4-benzoxazine-2-carboxamide (2R)-N,2-dimethyl-3-oxo-N-(2-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) 1.57 4.65 -16.5 1 6 0 72 297.314 2 ↓
Mid Mid (pH 6-8) 1.57 5.13 -39.93 2 6 1 73 298.322 2 ↓

Analogs

36365400
36365400
36365402
36365402
41545178
41545178

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N,2-dimethyl-3-oxo-N-(2-pyridyl)-4H-1,4-benzoxazine-2-carboxamide (2S)-N,2-dimethyl-3-oxo-N-(2-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) 1.57 6.64 -14.25 1 6 0 72 297.314 2 ↓
Mid Mid (pH 6-8) 1.57 7 -39 2 6 1 73 298.322 2 ↓

Analogs

41546568
41546568
36353664
36353664
36353665
36353665

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3,5-dichloro-2-pyridyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3,5-dichloro-2-pyridyl)-…

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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) 2.78 5.13 -12.11 2 6 0 80 352.177 2 ↓

Analogs

36353664
36353664
36353665
36353665
41546565
41546565

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3,5-dichloro-2-pyridyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3,5-dichloro-2-pyridyl)-…

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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) 2.78 6.58 -13.27 2 6 0 80 352.177 2 ↓

Analogs

41546574
41546574

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-bromo-2-pyridyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-bromo-2-pyridyl)-2-met…

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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) 2.30 4.65 -16.07 2 6 0 80 362.183 2 ↓

Analogs

41546571
41546571

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-bromo-2-pyridyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-bromo-2-pyridyl)-2-met…

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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) 2.30 6.12 -16.94 2 6 0 80 362.183 2 ↓

Analogs

41546969
41546969

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N,2,6-trimethyl-3-oxo-N-(2-pyridyl)-4H-1,4-benzoxazine-2-carboxamide (2S)-N,2,6-trimethyl-3-oxo-N-(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) 1.99 7.29 -13.83 1 6 0 72 311.341 2 ↓
Mid Mid (pH 6-8) 1.99 7.7 -39.37 2 6 1 73 312.349 2 ↓

Analogs

41546967
41546967

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,2,6-trimethyl-3-oxo-N-(2-pyridyl)-4H-1,4-benzoxazine-2-carboxamide (2R)-N,2,6-trimethyl-3-oxo-N-(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) 1.99 5.33 -16.15 1 6 0 72 311.341 2 ↓
Mid Mid (pH 6-8) 1.99 5.8 -39.68 2 6 1 73 312.349 2 ↓

Analogs

41548160
41548160

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3,5-dichloro-2-pyridyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3,5-dichloro-2-pyridyl)-…

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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) 3.20 7.27 -12.9 2 6 0 80 366.204 2 ↓

Analogs

41548158
41548158

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3,5-dichloro-2-pyridyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3,5-dichloro-2-pyridyl)-…

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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) 3.20 5.81 -11.85 2 6 0 80 366.204 2 ↓

Analogs

41548164
41548164

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-bromo-2-pyridyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-bromo-2-pyridyl)-2,6-d…

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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 6.78 -16.61 2 6 0 80 376.21 2 ↓

Analogs

41548162
41548162

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-bromo-2-pyridyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-bromo-2-pyridyl)-2,6-d…

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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 5.33 -15.82 2 6 0 80 376.21 2 ↓

Analogs

41548559
41548559

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-3-oxo-N-(2-pyridyl)-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-3-oxo-N-(…

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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 4.59 -16.37 2 6 0 80 317.732 2 ↓

Analogs

41548557
41548557

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-3-oxo-N-(2-pyridyl)-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-3-oxo-N-(…

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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 6.04 -17.36 2 6 0 80 317.732 2 ↓

Analogs

41549661
41549661

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-N-(4-methyl-2-pyridyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-N-(4-meth…

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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 6.71 -17.02 2 6 0 80 331.759 2 ↓

Analogs

41549659
41549659

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-N-(4-methyl-2-pyridyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-(4-meth…

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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 5.25 -15.78 2 6 0 80 331.759 2 ↓

Analogs

41549876
41549876

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-N-(6-methyl-2-pyridyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-N-(6-meth…

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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) 2.03 6.63 -17.76 2 6 0 80 331.759 2 ↓

Analogs

41549874
41549874

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-N-(6-methyl-2-pyridyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-(6-meth…

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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) 2.03 5.17 -16.48 2 6 0 80 331.759 2 ↓

Analogs

41549880
41549880

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-(3,5-dichloro-2-pyridyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(3,5-dichloro-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) 3.43 5.66 -11.2 2 6 0 80 386.622 2 ↓

Analogs

41549878
41549878

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-(3,5-dichloro-2-pyridyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(3,5-dichloro-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) 3.43 7.11 -12.44 2 6 0 80 386.622 2 ↓

Analogs

41549884
41549884

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-N-(3-methyl-2-pyridyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-N-(3-meth…

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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 6.8 -17.35 2 6 0 80 331.759 2 ↓

Analogs

41549882
41549882

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-N-(3-methyl-2-pyridyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-(3-meth…

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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 5.34 -16.29 2 6 0 80 331.759 2 ↓

Analogs

41549888
41549888

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-bromo-2-pyridyl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-bromo-2-pyridyl)-6-chl…

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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) 2.96 5.17 -15.55 2 6 0 80 396.628 2 ↓

Analogs

41549886
41549886

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-bromo-2-pyridyl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-bromo-2-pyridyl)-6-chl…

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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) 2.96 6.63 -16.28 2 6 0 80 396.628 2 ↓

Analogs

41549892
41549892
36353664
36353664
36353665
36353665

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-(5-chloro-2-pyridyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(5-chloro-2-pyri…

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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) 2.83 5.07 -15.69 2 6 0 80 352.177 2 ↓

Analogs

36353664
36353664
36353665
36353665
41549890
41549890

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-(5-chloro-2-pyridyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(5-chloro-2-pyri…

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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) 2.83 6.52 -16.44 2 6 0 80 352.177 2 ↓

Analogs

41549896
41549896

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-N-(5-methyl-2-pyridyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-N-(5-meth…

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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) 2.43 6.68 -17.37 2 6 0 80 331.759 2 ↓

Analogs

41549894
41549894

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-N-(5-methyl-2-pyridyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-(5-meth…

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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) 2.43 5.22 -16.16 2 6 0 80 331.759 2 ↓

Parameters Provided:

ring.id = 546823
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 = 546823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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