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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2-methoxyphenyl)-6-oxo-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]piperidine-3-carboxylic (2S,3R)-2-(2-methoxyphenyl)-6-ox…

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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) 1.55 8.97 -46.13 0 6 -1 79 346.403 6 ↓
Lo Low (pH 4.5-6) 1.55 6.85 -9.23 1 6 0 76 347.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(2-methoxyphenyl)-6-oxo-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]piperidine-3-carboxylic (2R,3R)-2-(2-methoxyphenyl)-6-ox…

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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) 1.55 9.01 -48.28 0 6 -1 79 346.403 6 ↓
Lo Low (pH 4.5-6) 1.55 7.04 -10.26 1 6 0 76 347.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2-methoxyphenyl)-6-oxo-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]piperidine-3-carboxylic (2S,3S)-2-(2-methoxyphenyl)-6-ox…

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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) 1.55 7.7 -47.26 0 6 -1 79 346.403 6 ↓
Lo Low (pH 4.5-6) 1.55 5.79 -12.39 1 6 0 76 347.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-(2-methoxyphenyl)-6-oxo-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]piperidine-3-carboxylic (2R,3S)-2-(2-methoxyphenyl)-6-ox…

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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) 1.55 8 -48.3 0 6 -1 79 346.403 6 ↓
Lo Low (pH 4.5-6) 1.55 6.27 -12.12 1 6 0 76 347.411 6 ↓

Analogs

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Popular Name: (2S,3R)-2-(3-cyanophenyl)-6-oxo-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]piperidine-3-carboxylic (2S,3R)-2-(3-cyanophenyl)-6-oxo-…

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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) 1.27 9.09 -42.06 0 6 -1 93 341.387 5 ↓
Lo Low (pH 4.5-6) 1.27 7.08 -12.1 1 6 0 91 342.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(3-cyanophenyl)-6-oxo-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]piperidine-3-carboxylic (2R,3R)-2-(3-cyanophenyl)-6-oxo-…

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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) 1.27 9.46 -45.94 0 6 -1 93 341.387 5 ↓
Lo Low (pH 4.5-6) 1.27 7.3 -12.29 1 6 0 91 342.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(3-cyanophenyl)-6-oxo-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]piperidine-3-carboxylic (2S,3S)-2-(3-cyanophenyl)-6-oxo-…

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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) 1.27 9.12 -41.47 0 6 -1 93 341.387 5 ↓
Lo Low (pH 4.5-6) 1.27 7.18 -14.79 1 6 0 91 342.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-(3-cyanophenyl)-6-oxo-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]piperidine-3-carboxylic (2R,3S)-2-(3-cyanophenyl)-6-oxo-…

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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) 1.27 9.35 -55.72 0 6 -1 93 341.387 5 ↓
Lo Low (pH 4.5-6) 1.27 7.1 -16.42 1 6 0 91 342.395 5 ↓

Parameters Provided:

ring.id = 355114
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 = 355114 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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