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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

41545052
41545052
36776788
36776788
36776790
36776790

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Popular Name: (2S)-N-ethyl-2-methyl-3-oxo-N-(4-pyridylmethyl)-4H-1,4-benzoxazine-2-carboxamide (2S)-N-ethyl-2-methyl-3-oxo-N-(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) 1.26 7.56 -15.71 1 6 0 72 325.368 4 ↓
Lo Low (pH 4.5-6) 1.26 8.02 -43.83 2 6 1 73 326.376 4 ↓

Analogs

36776788
36776788
36776790
36776790
41545050
41545050

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Popular Name: (2R)-N-ethyl-2-methyl-3-oxo-N-(4-pyridylmethyl)-4H-1,4-benzoxazine-2-carboxamide (2R)-N-ethyl-2-methyl-3-oxo-N-(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) 1.26 5.51 -14.18 1 6 0 72 325.368 4 ↓
Lo Low (pH 4.5-6) 1.26 5.99 -44.76 2 6 1 73 326.376 4 ↓

Analogs

41546184
41546184
41546187
41546187
41546190
41546190

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[(1S)-1-(4-pyridyl)ethyl]-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[(1S)-1-(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) 1.20 5.08 -14.04 2 6 0 80 311.341 3 ↓
Lo Low (pH 4.5-6) 1.20 5.54 -47.79 3 6 1 82 312.349 3 ↓

Analogs

41546187
41546187
41546190
41546190
41546181
41546181

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[(1R)-1-(4-pyridyl)ethyl]-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[(1R)-1-(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) 1.20 5.09 -14.47 2 6 0 80 311.341 3 ↓
Lo Low (pH 4.5-6) 1.20 5.54 -47.24 3 6 1 82 312.349 3 ↓

Analogs

41546190
41546190
41546181
41546181
41546184
41546184

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[(1S)-1-(4-pyridyl)ethyl]-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[(1S)-1-(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) 1.20 3.56 -13.08 2 6 0 80 311.341 3 ↓
Lo Low (pH 4.5-6) 1.20 4.02 -49.67 3 6 1 82 312.349 3 ↓

Analogs

41546181
41546181
41546184
41546184
41546187
41546187

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[(1R)-1-(4-pyridyl)ethyl]-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[(1R)-1-(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) 1.20 3.56 -13.56 2 6 0 80 311.341 3 ↓
Lo Low (pH 4.5-6) 1.20 4.02 -48.96 3 6 1 82 312.349 3 ↓

Analogs

41546862
41546862

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Popular Name: (2S)-N-ethyl-2,6-dimethyl-3-oxo-N-(4-pyridylmethyl)-4H-1,4-benzoxazine-2-carboxamide (2S)-N-ethyl-2,6-dimethyl-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) 1.68 8.24 -15.4 1 6 0 72 339.395 4 ↓
Lo Low (pH 4.5-6) 1.68 8.69 -43.62 2 6 1 73 340.403 4 ↓

Analogs

41546859
41546859

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-ethyl-2,6-dimethyl-3-oxo-N-(4-pyridylmethyl)-4H-1,4-benzoxazine-2-carboxamide (2R)-N-ethyl-2,6-dimethyl-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) 1.68 6.19 -13.96 1 6 0 72 339.395 4 ↓
Lo Low (pH 4.5-6) 1.68 6.66 -44.5 2 6 1 73 340.403 4 ↓

Analogs

41547809
41547809
41547812
41547812
41547815
41547815

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2,6-dimethyl-3-oxo-N-[(1S)-1-(4-pyridyl)ethyl]-4H-1,4-benzoxazine-2-carboxamide (2R)-2,6-dimethyl-3-oxo-N-[(1S)-…

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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 5.76 -13.63 2 6 0 80 325.368 3 ↓
Lo Low (pH 4.5-6) 1.62 6.22 -47.62 3 6 1 82 326.376 3 ↓

Analogs

41547812
41547812
41547815
41547815
41547806
41547806

Draw Identity 99% 90% 80% 70%

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

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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 4.23 -12.78 2 6 0 80 325.368 3 ↓
Lo Low (pH 4.5-6) 1.62 4.68 -49.56 3 6 1 82 326.376 3 ↓

Analogs

41547815
41547815
41547806
41547806
41547809
41547809

Draw Identity 99% 90% 80% 70%

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

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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 5.76 -14.09 2 6 0 80 325.368 3 ↓
Lo Low (pH 4.5-6) 1.62 6.22 -47.01 3 6 1 82 326.376 3 ↓

Analogs

41547806
41547806
41547809
41547809
41547812
41547812

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2,6-dimethyl-3-oxo-N-[(1R)-1-(4-pyridyl)ethyl]-4H-1,4-benzoxazine-2-carboxamide (2S)-2,6-dimethyl-3-oxo-N-[(1R)-…

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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 4.23 -13.23 2 6 0 80 325.368 3 ↓
Lo Low (pH 4.5-6) 1.62 4.68 -48.81 3 6 1 82 326.376 3 ↓

Analogs

41548383
41548383

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-ethyl-2-methyl-3-oxo-N-(4-pyridylmethyl)-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-ethyl-2-methyl-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) 1.91 8.1 -15.3 1 6 0 72 359.813 4 ↓
Lo Low (pH 4.5-6) 1.91 8.55 -44.4 2 6 1 73 360.821 4 ↓

Analogs

41548381
41548381

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-ethyl-2-methyl-3-oxo-N-(4-pyridylmethyl)-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-ethyl-2-methyl-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) 1.91 6.05 -13.55 1 6 0 72 359.813 4 ↓
Lo Low (pH 4.5-6) 1.91 6.5 -44.16 2 6 1 73 360.821 4 ↓

Analogs

41549323
41549323
41549325
41549325
41549327
41549327

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-3-oxo-N-[(1S)-1-(4-pyridyl)ethyl]-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) 1.85 5.6 -13.31 2 6 0 80 345.786 3 ↓
Lo Low (pH 4.5-6) 1.85 6.06 -48.5 3 6 1 82 346.794 3 ↓

Analogs

41549325
41549325
41549327
41549327
41549321
41549321

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-3-oxo-N-[(1R)-1-(4-pyridyl)ethyl]-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) 1.85 5.6 -13.74 2 6 0 80 345.786 3 ↓
Lo Low (pH 4.5-6) 1.85 6.06 -47.93 3 6 1 82 346.794 3 ↓

Analogs

41549327
41549327
41549321
41549321
41549323
41549323

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-3-oxo-N-[(1S)-1-(4-pyridyl)ethyl]-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) 1.85 4.07 -12.34 2 6 0 80 345.786 3 ↓
Lo Low (pH 4.5-6) 1.85 4.53 -49.91 3 6 1 82 346.794 3 ↓

Analogs

41549321
41549321
41549323
41549323
41549325
41549325

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-3-oxo-N-[(1R)-1-(4-pyridyl)ethyl]-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) 1.85 4.07 -12.93 2 6 0 80 345.786 3 ↓
Lo Low (pH 4.5-6) 1.85 4.53 -49.57 3 6 1 82 346.794 3 ↓

Analogs

41550004
41550004

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-3-oxo-N-(4-pyridylmethyl)-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) 1.29 3.25 -12.07 2 6 0 80 331.759 3 ↓
Lo Low (pH 4.5-6) 1.29 3.7 -48.87 3 6 1 82 332.767 3 ↓

Analogs

41550001
41550001

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-3-oxo-N-(4-pyridylmethyl)-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) 1.29 4.78 -12.9 2 6 0 80 331.759 3 ↓
Lo Low (pH 4.5-6) 1.29 5.24 -47.29 3 6 1 82 332.767 3 ↓

Parameters Provided:

ring.id = 546799
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 = 546799 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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