UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41546678
41546678
37027262
37027262
37027263
37027263
37027264
37027264
35512782
35512782

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

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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) 2.32 5.59 -45.39 4 6 1 84 346.451 2 ↓

Analogs

37027262
37027262
37027263
37027263
37027264
37027264
35512782
35512782
35512784
35512784

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

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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) 2.32 4.07 -46.97 4 6 1 84 346.451 2 ↓

Analogs

41548234
41548234

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

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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) 2.75 6.25 -45.21 4 6 1 84 360.478 2 ↓

Analogs

41548232
41548232

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

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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) 2.75 4.74 -46.82 4 6 1 84 360.478 2 ↓

Analogs

41549577
41549577

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Popular Name: (2S)-6-chloro-2-methyl-N-(1-methyl-4-piperidyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-N-(1-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) 1.60 4.54 -48.11 3 6 1 72 338.815 2 ↓

Analogs

41549575
41549575

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Popular Name: (2R)-6-chloro-2-methyl-N-(1-methyl-4-piperidyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-(1-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) 1.60 6.06 -46.96 3 6 1 72 338.815 2 ↓

Analogs

41550016
41550016

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Popular Name: (2R)-6-chloro-2-methyl-3-oxo-N-(2,2,6,6-tetramethyl-4-piperidyl)-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) 2.97 6.1 -45.87 4 6 1 84 380.896 2 ↓

Analogs

41550013
41550013

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Popular Name: (2S)-6-chloro-2-methyl-3-oxo-N-(2,2,6,6-tetramethyl-4-piperidyl)-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) 2.97 4.58 -46.96 4 6 1 84 380.896 2 ↓

Parameters Provided:

ring.id = 546993
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 = 546993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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