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

Analogs

41545056
41545056

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Popular Name: (2S)-N-(cyclohexylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(cyclohexylmethyl)-2-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) 2.82 4.89 -11.57 2 5 0 67 302.374 3 ↓

Analogs

41545053
41545053

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Popular Name: (2R)-N-(cyclohexylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(cyclohexylmethyl)-2-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) 2.82 6.43 -12.41 2 5 0 67 302.374 3 ↓

Analogs

41546868
41546868

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

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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) 3.24 7.12 -12.09 2 5 0 67 316.401 3 ↓

Analogs

41546865
41546865

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

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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) 3.24 5.57 -11.31 2 5 0 67 316.401 3 ↓

Analogs

41548386
41548386

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

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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) 3.47 5.42 -10.79 2 5 0 67 336.819 3 ↓

Analogs

41548385
41548385

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

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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) 3.47 6.96 -11.62 2 5 0 67 336.819 3 ↓

Parameters Provided:

ring.id = 546800
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 = 546800 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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