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

Analogs

41545247
41545247
41546387
41546387
41546390
41546390
40776255
40776255
40776258
40776258

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-acetylpiperazine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2S)-2-(4-acetylpiperazine-1-car…

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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) 0.02 4.88 -20.98 1 7 0 79 317.345 1 ↓

Analogs

41546387
41546387
41546390
41546390
40776255
40776255
40776258
40776258
40776260
40776260

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-acetylpiperazine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2R)-2-(4-acetylpiperazine-1-car…

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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) 0.02 3.42 -16.11 1 7 0 79 317.345 1 ↓

Analogs

41546390
41546390
40776255
40776255
40776258
40776258
40776260
40776260

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-2-(4-propylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (2S)-2-methyl-2-(4-propylpiperaz…

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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) 1.54 5.16 -13.27 1 6 0 62 317.389 3 ↓
Mid Mid (pH 6-8) 1.54 7.37 -51.34 2 6 1 63 318.397 3 ↓

Analogs

40776255
40776255
40776258
40776258
40776260
40776260

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-2-(4-propylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (2R)-2-methyl-2-(4-propylpiperaz…

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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) 1.54 3.61 -11.75 1 6 0 62 317.389 3 ↓
Mid Mid (pH 6-8) 1.54 5.81 -51.68 2 6 1 63 318.397 3 ↓

Analogs

41548010
41548010
41645660
41645660
41645663
41645663
40778884
40778884
40778887
40778887

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2,6-dimethyl-2-(4-propylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (2S)-2,6-dimethyl-2-(4-propylpip…

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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) 1.97 5.81 -12.9 1 6 0 62 331.416 3 ↓
Mid Mid (pH 6-8) 1.97 8.03 -51.19 2 6 1 63 332.424 3 ↓

Analogs

41645660
41645660
41645663
41645663
40778884
40778884
40778887
40778887
40778890
40778890

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2,6-dimethyl-2-(4-propylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (2R)-2,6-dimethyl-2-(4-propylpip…

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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) 1.97 4.27 -11.46 1 6 0 62 331.416 3 ↓
Mid Mid (pH 6-8) 1.97 6.49 -51.58 2 6 1 63 332.424 3 ↓

Analogs

41548433
41548433
41548645
41548645
41548647
41548647
41549483
41549483
41549485
41549485

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-acetylpiperazine-1-carbonyl)-6-chloro-2-methyl-4H-1,4-benzoxazin-3-one (2S)-2-(4-acetylpiperazine-1-car…

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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) 0.68 5.48 -20.74 1 7 0 79 351.79 1 ↓

Analogs

41548645
41548645
41548647
41548647
41549483
41549483
41549485
41549485
41550139
41550139

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-acetylpiperazine-1-carbonyl)-6-chloro-2-methyl-4H-1,4-benzoxazin-3-one (2R)-2-(4-acetylpiperazine-1-car…

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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) 0.68 4 -15.27 1 7 0 79 351.79 1 ↓

Analogs

41548647
41548647
41549483
41549483
41549485
41549485
41550139
41550139
41550142
41550142

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one (2R)-6-chloro-2-[4-(2-hydroxyeth…

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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) 0.68 0.05 -13.02 2 7 0 82 353.806 3 ↓
Lo Low (pH 4.5-6) 0.68 2.36 -51.55 3 7 1 83 354.814 3 ↓

Analogs

41549483
41549483
41549485
41549485
41550139
41550139
41550142
41550142
41550145
41550145

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one (2S)-6-chloro-2-[4-(2-hydroxyeth…

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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) 0.68 1.7 -14.18 2 7 0 82 353.806 3 ↓
Lo Low (pH 4.5-6) 0.68 3.92 -50.77 3 7 1 83 354.814 3 ↓

Analogs

41548806
41548806

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (2R)-6-chloro-2-methyl-2-(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) 0.69 1.53 -18.13 1 8 0 96 387.845 2 ↓

Analogs

41548804
41548804

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (2S)-6-chloro-2-methyl-2-(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) 0.69 3.09 -19.95 1 8 0 96 387.845 2 ↓

Analogs

41549485
41549485
41550139
41550139
41550142
41550142
41550145
41550145
41550148
41550148

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-2-(4-propylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (2S)-6-chloro-2-methyl-2-(4-prop…

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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 5.67 -12.54 1 6 0 62 351.834 3 ↓
Mid Mid (pH 6-8) 2.19 7.88 -53.14 2 6 1 63 352.842 3 ↓

Analogs

41550139
41550139
41550142
41550142
41550145
41550145
41550148
41550148
41548431
41548431

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-2-(4-propylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (2R)-6-chloro-2-methyl-2-(4-prop…

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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 4.12 -10.8 1 6 0 62 351.834 3 ↓
Mid Mid (pH 6-8) 2.19 6.34 -52.9 2 6 1 63 352.842 3 ↓

Analogs

41550142
41550142
41550145
41550145
41550148
41550148
41548431
41548431
41548433
41548433

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (2R)-6-chloro-2-methyl-2-(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) 1.32 2.56 -11.15 1 6 0 62 323.78 1 ↓
Mid Mid (pH 6-8) 1.32 4.93 -53.79 2 6 1 63 324.788 1 ↓

Analogs

41550145
41550145
41550148
41550148
41548431
41548431
41548433
41548433
41548645
41548645

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (2S)-6-chloro-2-methyl-2-(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) 1.32 4.1 -12.66 1 6 0 62 323.78 1 ↓
Mid Mid (pH 6-8) 1.32 6.44 -53 2 6 1 63 324.788 1 ↓

Analogs

41550148
41550148
41548431
41548431
41548433
41548433
41548645
41548645

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2S)-6-chloro-2-(4-ethylpiperazi…

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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) 1.69 4.93 -12.62 1 6 0 62 337.807 2 ↓
Mid Mid (pH 6-8) 1.69 7.14 -52.33 2 6 1 63 338.815 2 ↓

Analogs

41548431
41548431
41548433
41548433
41548645
41548645

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2R)-6-chloro-2-(4-ethylpiperazi…

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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) 1.69 3.38 -11 1 6 0 62 337.807 2 ↓
Mid Mid (pH 6-8) 1.69 5.6 -51.91 2 6 1 63 338.815 2 ↓

Analogs

41550328
41550328

Draw Identity 99% 90% 80% 70%

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) 1.77 6.25 -16.64 1 8 0 88 381.816 3 ↓

Analogs

41550325
41550325

Draw Identity 99% 90% 80% 70%

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) 1.77 4.76 -13.57 1 8 0 88 381.816 3 ↓

Analogs

40778884
40778884
40778887
40778887
40778890
40778890

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-acetylpiperazine-1-carbonyl)-2,6-dimethyl-4H-1,4-benzoxazin-3-one (2S)-2-(4-acetylpiperazine-1-car…

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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) 0.45 5.59 -16.81 1 7 0 79 331.372 1 ↓

Analogs

40778884
40778884
40778887
40778887
40778890
40778890

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-acetylpiperazine-1-carbonyl)-2,6-dimethyl-4H-1,4-benzoxazin-3-one (2R)-2-(4-acetylpiperazine-1-car…

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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) 0.45 4 -18.82 1 7 0 79 331.372 1 ↓

Parameters Provided:

ring.id = 546828
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 = 546828 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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