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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: 6-chloro-4-[2-[4-(2-isopropoxyethyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one 6-chloro-4-[2-[4-(2-isopropoxyet…

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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 5.91 -14.21 0 7 0 62 395.887 6 ↓
Mid Mid (pH 6-8) 1.85 8.26 -48.64 1 7 1 64 396.895 6 ↓

Analogs

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Popular Name: 8-chloro-4-[2-[4-(2-isopropoxyethyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one 8-chloro-4-[2-[4-(2-isopropoxyet…

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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) 1.83 5.93 -13.23 0 7 0 62 395.887 6 ↓
Mid Mid (pH 6-8) 1.83 8.28 -48.28 1 7 1 64 396.895 6 ↓

Analogs

4970629
4970629
4970627
4970627

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Popular Name: (2R)-2-methyl-4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one (2R)-2-methyl-4-[2-[4-(2-methylp…

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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) 1.28 7.15 -18.38 0 7 0 70 359.426 3 ↓

Analogs

4970629
4970629
4970627
4970627

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Popular Name: (2S)-2-methyl-4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one (2S)-2-methyl-4-[2-[4-(2-methylp…

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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) 1.28 7.05 -18.38 0 7 0 70 359.426 3 ↓

Analogs

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Popular Name: 6-bromo-4-(2-oxo-2-piperazin-1-yl-ethyl)-1,4-benzoxazin-3-one 6-bromo-4-(2-oxo-2-piperazin-1-y…

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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) 0.66 3.07 -13.47 1 6 0 62 354.204 2 ↓
Mid Mid (pH 6-8) 0.66 4.37 -55.36 2 6 1 66 355.212 2 ↓

Analogs

12542602
12542602
12542603
12542603

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Popular Name: (2R)-2-methyl-4-(2-oxo-2-piperazin-1-yl-ethyl)-1,4-benzoxazin-3-one (2R)-2-methyl-4-(2-oxo-2-piperaz…

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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) 0.24 3.2 -12.57 1 6 0 62 289.335 2 ↓
Mid Mid (pH 6-8) 0.24 4.49 -53.48 2 6 1 66 290.343 2 ↓

Analogs

12542602
12542602
12542603
12542603

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-4-(2-oxo-2-piperazin-1-yl-ethyl)-1,4-benzoxazin-3-one (2S)-2-methyl-4-(2-oxo-2-piperaz…

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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) 0.24 3.1 -12.6 1 6 0 62 289.335 2 ↓
Mid Mid (pH 6-8) 0.24 4.4 -53.33 2 6 1 66 290.343 2 ↓

Parameters Provided:

ring.id = 50188
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 = 50188 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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