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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

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Popular Name: 3-acetyl-1-cyclohexyl-4-hydroxy-6-methyl-pyridin-2-one 3-acetyl-1-cyclohexyl-4-hydroxy-…

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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) 2.54 5.68 -54.61 0 4 -1 62 248.302 2 ↓

Analogs

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Popular Name: 1-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-2,4-dimethyl-6-oxo-pyridine-3-carboxylic 1-[(1R,2S,4S)-2,4-dimethylcycloh…

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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) 2.92 9.08 -40.01 0 4 -1 62 276.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-2,4-dimethyl-6-oxo-pyridine-3-carboxylic 1-[(1S,2S,4S)-2,4-dimethylcycloh…

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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) 2.92 9.89 -46.23 0 4 -1 62 276.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-2,4-dimethyl-6-oxo-pyridine-3-carboxylic 1-[(1R,2S,4R)-2,4-dimethylcycloh…

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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) 2.92 8.89 -40.57 0 4 -1 62 276.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-2,4-dimethyl-6-oxo-pyridine-3-carboxylic 1-[(1S,2S,4R)-2,4-dimethylcycloh…

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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) 2.92 9.65 -46.2 0 4 -1 62 276.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-6-oxo-pyridine-3-carboxylic 1-[(1S,2R,4R)-2,4-dimethylcycloh…

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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 8.06 -45.63 0 4 -1 62 248.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-6-oxo-pyridine-3-carboxylic 1-[(1S,2R,4S)-2,4-dimethylcycloh…

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) 2.32 7.76 -42.56 0 4 -1 62 248.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-6-oxo-pyridine-3-carboxylic 1-[(1R,2R,4R)-2,4-dimethylcycloh…

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) 2.32 8.78 -42.63 0 4 -1 62 248.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-6-oxo-pyridine-3-carboxylic 1-[(1R,2R,4S)-2,4-dimethylcycloh…

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) 2.32 8.55 -42.62 0 4 -1 62 248.302 2 ↓

Parameters Provided:

ring.id = 10830
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 = 10830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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