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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: (3S)-3-[(2,2-difluoroethylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (3S)-3-[(2,2-difluoroethylamino)…

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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) 1.82 6 -11.32 2 4 0 53 326.387 8 ↓
Lo Low (pH 4.5-6) 1.82 6.31 -44 3 4 1 57 327.395 8 ↓

Analogs

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Popular Name: (3R)-3-[(2,2-difluoroethylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (3R)-3-[(2,2-difluoroethylamino)…

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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) 1.82 5.08 -9.47 2 4 0 53 326.387 8 ↓
Lo Low (pH 4.5-6) 1.82 6.29 -43.1 3 4 1 57 327.395 8 ↓

Analogs

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Popular Name: (3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (3R)-3-[(tert-butylamino)methyl]…

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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) 2.78 7.03 -38.04 3 4 1 57 319.469 7 ↓
Hi High (pH 8-9.5) 2.78 6.58 -7.58 2 4 0 53 318.461 7 ↓

Analogs

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Popular Name: (3S)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (3S)-3-[(tert-butylamino)methyl]…

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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) 2.78 7.02 -37.58 3 4 1 57 319.469 7 ↓
Hi High (pH 8-9.5) 2.78 5.82 -7.23 2 4 0 53 318.461 7 ↓

Analogs

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Popular Name: (3R)-3-hydroxy-3-[(isobutylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one (3R)-3-hydroxy-3-[(isobutylamino…

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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) 2.37 7.55 -41.26 3 4 1 57 319.469 8 ↓
Hi High (pH 8-9.5) 2.37 7.02 -7.77 2 4 0 53 318.461 8 ↓

Analogs

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Popular Name: (3S)-3-hydroxy-3-[(isobutylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one (3S)-3-hydroxy-3-[(isobutylamino…

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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) 2.37 7.55 -40.36 3 4 1 57 319.469 8 ↓
Hi High (pH 8-9.5) 2.37 6.19 -7.29 2 4 0 53 318.461 8 ↓

Analogs

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Popular Name: (3R)-3-(ethylaminomethyl)-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (3R)-3-(ethylaminomethyl)-3-hydr…

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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) 1.62 5.98 -40.7 3 4 1 57 291.415 7 ↓
Hi High (pH 8-9.5) 1.62 5.57 -8 2 4 0 53 290.407 7 ↓

Analogs

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Popular Name: (3S)-3-(ethylaminomethyl)-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (3S)-3-(ethylaminomethyl)-3-hydr…

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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) 1.62 5.97 -40.08 3 4 1 57 291.415 7 ↓
Hi High (pH 8-9.5) 1.62 4.73 -7.47 2 4 0 53 290.407 7 ↓

Analogs

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Popular Name: 2-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)-3-piperidyl]methylamino]-N-methyl-acetamide 2-[[(3R)-3-hydroxy-2-oxo-1-(3-ph…

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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) 0.86 3.71 -46.42 4 6 1 86 334.44 8 ↓
Hi High (pH 8-9.5) 0.86 3.29 -16.47 3 6 0 82 333.432 8 ↓

Analogs

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Popular Name: 2-[[(3S)-3-hydroxy-2-oxo-1-(3-phenylpropyl)-3-piperidyl]methylamino]-N-methyl-acetamide 2-[[(3S)-3-hydroxy-2-oxo-1-(3-ph…

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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) 0.86 3.69 -45.52 4 6 1 86 334.44 8 ↓
Hi High (pH 8-9.5) 0.86 2.46 -13.17 3 6 0 82 333.432 8 ↓

Analogs

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Popular Name: 2-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)-3-piperidyl]methylamino]-N,2-dimethyl-propanamide 2-[[(3R)-3-hydroxy-2-oxo-1-(3-ph…

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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) 1.51 4.81 -45.44 4 6 1 86 362.494 8 ↓
Hi High (pH 8-9.5) 1.51 4.44 -10.33 3 6 0 82 361.486 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-hydroxy-2-oxo-1-(3-phenylpropyl)-3-piperidyl]methylamino]-N,2-dimethyl-propanamide 2-[[(3S)-3-hydroxy-2-oxo-1-(3-ph…

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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) 1.51 4.79 -47.27 4 6 1 86 362.494 8 ↓
Hi High (pH 8-9.5) 1.51 3.67 -12.17 3 6 0 82 361.486 8 ↓

Analogs

12570726
12570726
12570730
12570730

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (3R)-3-[[ethyl(methyl)amino]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) 2.22 8.32 -37.38 2 4 1 45 305.442 7 ↓

Analogs

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Popular Name: (3S)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (3S)-3-[[ethyl(methyl)amino]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) 2.22 8.53 -28.37 2 4 1 45 305.442 7 ↓

Parameters Provided:

ring.id = 521275
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 = 521275 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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