UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S,3R)-1-[(2-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxo-piperidine-3-carboxylic (2S,3R)-1-[(2-methoxyphenyl)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) 1.05 8.82 -42.54 0 7 -1 87 342.375 5 ↓

Analogs

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Popular Name: (2R,3R)-1-[(2-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxo-piperidine-3-carboxylic (2R,3R)-1-[(2-methoxyphenyl)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) 1.05 9.2 -46.09 0 7 -1 87 342.375 5 ↓

Analogs

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Popular Name: (2S,3S)-1-[(2-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxo-piperidine-3-carboxylic (2S,3S)-1-[(2-methoxyphenyl)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) 1.05 7.61 -43.9 0 7 -1 87 342.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-[(2-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxo-piperidine-3-carboxylic (2R,3S)-1-[(2-methoxyphenyl)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) 1.05 8.69 -53.13 0 7 -1 87 342.375 5 ↓

Analogs

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Popular Name: (2S,3R)-2-(1-methylpyrazol-4-yl)-1-(m-tolylmethyl)-6-oxo-piperidine-3-carboxylic (2S,3R)-2-(1-methylpyrazol-4-yl)…

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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) 1.47 9.09 -42.72 0 6 -1 78 326.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(1-methylpyrazol-4-yl)-1-(m-tolylmethyl)-6-oxo-piperidine-3-carboxylic (2R,3R)-2-(1-methylpyrazol-4-yl)…

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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) 1.47 9.17 -44.87 0 6 -1 78 326.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(1-methylpyrazol-4-yl)-1-(m-tolylmethyl)-6-oxo-piperidine-3-carboxylic (2S,3S)-2-(1-methylpyrazol-4-yl)…

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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) 1.47 8.85 -41.66 0 6 -1 78 326.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-(1-methylpyrazol-4-yl)-1-(m-tolylmethyl)-6-oxo-piperidine-3-carboxylic (2R,3S)-2-(1-methylpyrazol-4-yl)…

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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) 1.47 8.61 -51.64 0 6 -1 78 326.376 4 ↓

Analogs

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Popular Name: (2S,3R)-1-[(3-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxo-piperidine-3-carboxylic (2S,3R)-1-[(3-methoxyphenyl)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) 1.07 7.18 -43.08 0 7 -1 87 342.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-[(3-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxo-piperidine-3-carboxylic (2R,3R)-1-[(3-methoxyphenyl)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) 1.07 7.78 -46.24 0 7 -1 87 342.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-[(3-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxo-piperidine-3-carboxylic (2S,3S)-1-[(3-methoxyphenyl)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) 1.07 7.55 -44.22 0 7 -1 87 342.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-[(3-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxo-piperidine-3-carboxylic (2R,3S)-1-[(3-methoxyphenyl)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) 1.07 7.29 -54.8 0 7 -1 87 342.375 5 ↓

Parameters Provided:

ring.id = 376346
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 = 376346 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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