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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

41545072
41545072

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

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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) 1.16 3.48 -16.24 2 6 0 80 311.341 4 ↓
Lo Low (pH 4.5-6) 1.16 3.84 -44.9 3 6 1 82 312.349 4 ↓

Analogs

41545069
41545069

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

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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) 1.16 5.02 -17.13 2 6 0 80 311.341 4 ↓
Lo Low (pH 4.5-6) 1.16 5.37 -43.19 3 6 1 82 312.349 4 ↓

Analogs

41546886
41546886
4417813
4417813
4419366
4419366

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

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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) 1.58 5.71 -16.77 2 6 0 80 325.368 4 ↓
Lo Low (pH 4.5-6) 1.58 6.06 -42.91 3 6 1 82 326.376 4 ↓

Analogs

4417813
4417813
4419366
4419366
41546883
41546883

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

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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) 1.58 4.16 -16.01 2 6 0 80 325.368 4 ↓
Lo Low (pH 4.5-6) 1.58 4.51 -44.68 3 6 1 82 326.376 4 ↓

Analogs

41548402
41548402

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Popular Name: (2S)-6-chloro-2-methyl-3-oxo-N-[2-(2-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) 1.81 4.01 -15.51 2 6 0 80 345.786 4 ↓
Lo Low (pH 4.5-6) 1.81 4.37 -45.13 3 6 1 82 346.794 4 ↓

Analogs

41548400
41548400

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Popular Name: (2R)-6-chloro-2-methyl-3-oxo-N-[2-(2-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) 1.81 5.55 -16.3 2 6 0 80 345.786 4 ↓
Lo Low (pH 4.5-6) 1.81 5.9 -43.72 3 6 1 82 346.794 4 ↓

Parameters Provided:

ring.id = 546805
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 = 546805 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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