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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44513003
44513003

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Popular Name: 1-(4-amino-1-piperidyl)-2-(2-pyridyl)ethanone 1-(4-amino-1-piperidyl)-2-(2-pyr…

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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) -0.44 3.07 -57.33 3 4 1 61 220.296 2 ↓

Analogs

34973736
34973736

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Popular Name: 4-methyl-1-[2-(2-pyridyl)acetyl]piperidine-4-carboxylic 4-methyl-1-[2-(2-pyridyl)acetyl]…

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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) 0.56 6.67 -53.76 0 5 -1 73 261.301 3 ↓

Analogs

34973736
34973736

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Popular Name: 4-ethyl-1-[2-(2-pyridyl)acetyl]piperidine-4-carboxylic 4-ethyl-1-[2-(2-pyridyl)acetyl]p…

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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) 0.90 7.15 -52.86 0 5 -1 73 275.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-1-[2-(2-pyridyl)acetyl]piperidine-4-carboxylic 4-propyl-1-[2-(2-pyridyl)acetyl]…

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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) 1.45 7.88 -55.25 0 5 -1 73 289.355 5 ↓

Analogs

34973741
34973741
34973743
34973743

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Popular Name: (3S)-3-methyl-1-[2-(2-pyridyl)acetyl]piperidine-3-carboxylic (3S)-3-methyl-1-[2-(2-pyridyl)ac…

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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) 0.56 7.1 -60.19 0 5 -1 73 261.301 3 ↓

Analogs

34973741
34973741
34973743
34973743

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Popular Name: (3R)-3-methyl-1-[2-(2-pyridyl)acetyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-(2-pyridyl)ac…

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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) 0.56 7.1 -60.12 0 5 -1 73 261.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[2-(2-pyridyl)acetyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[2-(2-pyridyl)ace…

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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) 0.90 7.55 -57.93 0 5 -1 73 275.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[2-(2-pyridyl)acetyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[2-(2-pyridyl)ace…

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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) 0.90 7.6 -57.76 0 5 -1 73 275.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-[2-(2-pyridyl)acetyl]piperidine-3-carboxylic (3S)-3-propyl-1-[2-(2-pyridyl)ac…

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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) 1.45 8.32 -58.38 0 5 -1 73 289.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-[2-(2-pyridyl)acetyl]piperidine-3-carboxylic (3R)-3-propyl-1-[2-(2-pyridyl)ac…

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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) 1.45 8.35 -57.92 0 5 -1 73 289.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-aminoethyl)-1-piperidyl]-2-(2-pyridyl)ethanone 1-[4-(2-aminoethyl)-1-piperidyl]…

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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) 0.33 4.45 -55.42 3 4 1 61 248.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[2-(methylamino)ethyl]-1-piperidyl]-2-(2-pyridyl)ethanone 1-[4-[2-(methylamino)ethyl]-1-pi…

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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) 1.31 6.34 -50.78 2 4 1 50 262.377 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]-2-(2-pyridyl)ethanone 1-[(2S)-2-[2-(methylamino)ethyl]…

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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) 1.25 6.28 -36.94 2 4 1 50 262.377 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]-2-(2-pyridyl)ethanone 1-[(2R)-2-[2-(methylamino)ethyl]…

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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) 1.25 6.28 -37.04 2 4 1 50 262.377 5 ↓

Parameters Provided:

ring.id = 109775
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 = 109775 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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