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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

45650668
45650668
45650670
45650670

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Popular Name: 6-[(1-methyl-4-piperidyl)amino]-4H-1,4-benzoxazin-3-one 6-[(1-methyl-4-piperidyl)amino]-…

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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 3.76 -46.05 3 5 1 55 262.333 2 ↓

Analogs

45650668
45650668
45650670
45650670

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Popular Name: 6-[(1-isopropyl-4-piperidyl)amino]-4H-1,4-benzoxazin-3-one 6-[(1-isopropyl-4-piperidyl)amin…

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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) 2.58 4.74 -44.48 3 5 1 55 290.387 3 ↓

Analogs

45650668
45650668
45650670
45650670

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Popular Name: 6-[(1-ethyl-4-piperidyl)amino]-4H-1,4-benzoxazin-3-one 6-[(1-ethyl-4-piperidyl)amino]-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) 2.28 4.35 -45.31 3 5 1 55 276.36 3 ↓

Analogs

45650668
45650668
45650670
45650670

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1-propyl-4-piperidyl)amino]-4H-1,4-benzoxazin-3-one 6-[(1-propyl-4-piperidyl)amino]-…

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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) 2.79 5.08 -46.15 3 5 1 55 290.387 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-6-[(1-methyl-4-piperidyl)amino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[(1-methyl-4-pip…

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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 4.52 -44.07 3 5 1 55 276.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-6-[(1-methyl-4-piperidyl)amino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[(1-methyl-4-pip…

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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 4.42 -44.2 3 5 1 55 276.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-[(1-ethyl-4-piperidyl)amino]-2-methyl-4H-1,4-benzoxazin-3-one (2S)-6-[(1-ethyl-4-piperidyl)ami…

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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 5.06 -43.32 3 5 1 55 290.387 3 ↓

Analogs

45652452
45652452
45652455
45652455
45652457
45652457
45652460
45652460

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-[(1-ethyl-4-piperidyl)amino]-2-methyl-4H-1,4-benzoxazin-3-one (2R)-6-[(1-ethyl-4-piperidyl)ami…

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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 5.18 -43.05 3 5 1 55 290.387 3 ↓

Analogs

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Popular Name: 6-[(1-acetyl-4-piperidyl)amino]-4H-1,4-benzoxazin-3-one 6-[(1-acetyl-4-piperidyl)amino]-…

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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) 1.27 2.72 -14.35 2 6 0 71 289.335 2 ↓

Analogs

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Popular Name: 6-[(1-prop-2-ynyl-4-piperidyl)amino]-4H-1,4-benzoxazin-3-one 6-[(1-prop-2-ynyl-4-piperidyl)am…

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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) 2.07 4.94 -45.89 3 5 1 55 286.355 3 ↓
Mid Mid (pH 6-8) 2.07 2.67 -8.01 2 5 0 54 285.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]piperidine-1-carboxamide 4-[(3-oxo-4H-1,4-benzoxazin-6-yl…

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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) 1.18 0.14 -14.95 4 7 0 97 290.323 2 ↓

Parameters Provided:

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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 = 24385 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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