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

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]piperidin-2-one 1-[(2R)-2-cyclopropyl-2-(methyla…

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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) 1.21 5.48 -30.81 2 3 1 37 197.302 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]piperidin-2-one 1-[(2S)-2-cyclopropyl-2-(methyla…

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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) 1.21 5.47 -40.14 2 3 1 37 197.302 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]piperidin-2-one 1-[(2R)-2-cyclopropyl-2-(ethylam…

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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) 1.59 6.31 -29.75 2 3 1 37 211.329 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]piperidin-2-one 1-[(2S)-2-cyclopropyl-2-(ethylam…

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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) 1.59 6.28 -37.83 2 3 1 37 211.329 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-ethyl]piperidin-2-one 1-[(2R)-2-amino-2-cyclopropyl-et…

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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) 0.30 3.83 -45.3 3 3 1 48 183.275 3 ↓
Hi High (pH 8-9.5) 0.30 3.44 -7.32 2 3 0 46 182.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-ethyl]piperidin-2-one 1-[(2S)-2-amino-2-cyclopropyl-et…

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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) 0.30 4.09 -33.87 3 3 1 48 183.275 3 ↓
Hi High (pH 8-9.5) 0.30 3.78 -5.21 2 3 0 46 182.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]piperidin-2-one 1-[(2R)-2-cyclopropyl-2-(propyla…

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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) 2.09 7.07 -29.99 2 3 1 37 225.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]piperidin-2-one 1-[(2S)-2-cyclopropyl-2-(propyla…

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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) 2.09 7.04 -38.3 2 3 1 37 225.356 6 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]piperidin-2-one 1-[(2R)-2-cyclopropyl-2-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) 0.80 2.96 -8.87 1 3 0 41 183.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]piperidin-2-one 1-[(2S)-2-cyclopropyl-2-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) 0.80 4.13 -7.04 1 3 0 41 183.251 3 ↓

Analogs

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Popular Name: (3R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6-oxo-piperidine-3-carboxylic (3R)-1-[(1S)-2-cyclopropyl-1-met…

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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) 1.15 7.52 -41 0 4 -1 60 224.28 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6-oxo-piperidine-3-carboxylic (3R)-1-[(1R)-2-cyclopropyl-1-met…

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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) 1.15 7.5 -41.03 0 4 -1 60 224.28 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6-oxo-piperidine-3-carboxylic (3S)-1-[(1S)-2-cyclopropyl-1-met…

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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) 1.15 7.34 -39.89 0 4 -1 60 224.28 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6-oxo-piperidine-3-carboxylic (3S)-1-[(1R)-2-cyclopropyl-1-met…

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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) 1.15 7.48 -40.15 0 4 -1 60 224.28 4 ↓

Analogs

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

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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) 1.96 8.42 -39.7 0 4 -1 60 252.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.96 8.47 -40.53 0 4 -1 60 252.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.96 8.22 -39.17 0 4 -1 60 252.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.96 8.21 -42 0 4 -1 60 252.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S)-1-(cyclopropylmethyl)propyl]-6-oxo-piperidine-3-carboxylic (3R)-1-[(1S)-1-(cyclopropylmethy…

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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) 1.69 8.47 -40.68 0 4 -1 60 238.307 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R)-1-(cyclopropylmethyl)propyl]-6-oxo-piperidine-3-carboxylic (3R)-1-[(1R)-1-(cyclopropylmethy…

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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) 1.69 8.47 -40.77 0 4 -1 60 238.307 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-6-oxo-piperidine-3-carboxylic (3S)-1-[(1S)-1-(cyclopropylmethy…

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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) 1.69 8.43 -39.92 0 4 -1 60 238.307 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R)-1-(cyclopropylmethyl)propyl]-6-oxo-piperidine-3-carboxylic (3S)-1-[(1R)-1-(cyclopropylmethy…

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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) 1.69 8.56 -40.13 0 4 -1 60 238.307 5 ↓

Analogs

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

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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) 2.49 9.06 -39.32 0 4 -1 60 266.361 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.49 8.85 -39.5 0 4 -1 60 266.361 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.49 8.98 -40.92 0 4 -1 60 266.361 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.49 9.13 -41.34 0 4 -1 60 266.361 5 ↓

Parameters Provided:

ring.id = 246519
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 = 246519 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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