UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 1.84 7.45 -40.92 0 4 -1 60 252.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.84 7.41 -41.43 0 4 -1 60 252.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.84 8.47 -40.98 0 4 -1 60 252.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.84 8.23 -40.8 0 4 -1 60 252.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.64 8.89 -38.38 0 4 -1 60 280.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.64 8.91 -39.44 0 4 -1 60 280.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.64 8.93 -39.58 0 4 -1 60 280.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.64 8.7 -39.43 0 4 -1 60 280.388 2 ↓

Parameters Provided:

ring.id = 524957
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 = 524957 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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