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

Analogs

41550131
41550131
36358623
36358623
36358624
36358624

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-3-oxo-N-(3-pyridylmethyl)-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) 1.34 3.23 -11.87 2 6 0 80 331.759 3 ↓
Lo Low (pH 4.5-6) 1.34 3.7 -48.47 3 6 1 82 332.767 3 ↓

Analogs

36358623
36358623
36358624
36358624
41550128
41550128

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.34 4.77 -12.84 2 6 0 80 331.759 3 ↓
Lo Low (pH 4.5-6) 1.34 5.23 -47.03 3 6 1 82 332.767 3 ↓

Parameters Provided:

ring.id = 547257
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 = 547257 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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