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

Analogs

48392528
48392528
48392530
48392530
48596306
48596306
4335400
4335400
4335401
4335401

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-(5-bromo-2-pyridyl)acetamide 2-(4-amino-1-piperidyl)-N-(5-bro…

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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 2.14 -49.53 4 5 1 73 314.207 3 ↓
Lo Low (pH 4.5-6) 0.86 4.33 -113.64 5 5 2 74 315.215 3 ↓

Analogs

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Popular Name: 2-(1-piperidyl)-N-(2-pyridyl)acetamide 2-(1-piperidyl)-N-(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) 1.52 6.53 -40.48 2 4 1 46 220.296 3 ↓
Lo Low (pH 4.5-6) 1.52 6.29 -88.65 3 4 2 48 221.304 3 ↓

Analogs

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Popular Name: 1-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-4-methyl-piperidine-4-carboxylic 1-[2-[(5-bromo-2-pyridyl)amino]-…

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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) 1.86 7.9 -72.54 2 6 0 87 356.22 4 ↓
Hi High (pH 8-9.5) 1.67 7.18 -66.48 1 6 -1 93 355.212 4 ↓

Analogs

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Popular Name: (3S)-1-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[2-[(5-bromo-2-pyridyl)am…

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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) 1.86 8.09 -53.46 2 6 0 87 356.22 4 ↓
Hi High (pH 8-9.5) 1.67 7.36 -55.76 1 6 -1 93 355.212 4 ↓
Hi High (pH 8-9.5) 1.86 6.29 -51.9 1 6 -1 85 355.212 4 ↓

Analogs

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Popular Name: (3R)-1-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-[(5-bromo-2-pyridyl)am…

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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) 1.86 8.06 -52.62 2 6 0 87 356.22 4 ↓
Hi High (pH 8-9.5) 1.67 7.33 -55.43 1 6 -1 93 355.212 4 ↓
Hi High (pH 8-9.5) 1.86 6.26 -51.41 1 6 -1 85 355.212 4 ↓

Analogs

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Popular Name: 2-[4-(2-aminoethyl)-1-piperidyl]-N-(3,5-dichloro-2-pyridyl)acetamide 2-[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) 2.10 6.18 -100.36 5 5 2 74 333.263 5 ↓
Mid Mid (pH 6-8) 1.92 5.55 -80.78 4 5 1 80 332.255 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-aminoethyl)-1-piperidyl]-N-(5-bromo-2-pyridyl)acetamide 2-[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) 1.62 5.7 -103.5 5 5 2 74 343.269 5 ↓
Hi High (pH 8-9.5) 1.44 2.67 -73.64 3 5 0 79 341.253 5 ↓
Hi High (pH 8-9.5) 1.44 4.98 -84.45 4 5 1 80 342.261 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-pyridyl)-2-[4-[2-(methylamino)ethyl]-1-piperidyl]acetamide N-(5-bromo-2-pyridyl)-2-[4-[2-(m…

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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) 2.60 7.58 -99.5 4 5 2 63 357.296 6 ↓
Hi High (pH 8-9.5) 2.42 4.54 -68.54 2 5 0 68 355.28 6 ↓
Hi High (pH 8-9.5) 2.60 5.4 -47.62 3 5 1 62 356.288 6 ↓

Analogs

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Popular Name: N-(5-bromo-2-pyridyl)-2-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]acetamide N-(5-bromo-2-pyridyl)-2-[(2S)-2-…

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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) 2.54 5.94 -49.32 3 5 1 62 356.288 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-pyridyl)-2-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]acetamide N-(5-bromo-2-pyridyl)-2-[(2R)-2-…

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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) 2.54 5.37 -54.53 3 5 1 62 356.288 6 ↓

Analogs

36886028
36886028

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-pyridyl)-2-[(3R)-3-ethyl-1-piperidyl]acetamide N-(5-chloro-2-pyridyl)-2-[(3R)-3…

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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) 3.11 8.22 -43.42 2 4 1 46 282.795 4 ↓

Analogs

36886028
36886028

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-pyridyl)-2-[(3S)-3-ethyl-1-piperidyl]acetamide N-(5-chloro-2-pyridyl)-2-[(3S)-3…

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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) 3.11 8.22 -43.44 2 4 1 46 282.795 4 ↓

Parameters Provided:

ring.id = 27843
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 = 27843 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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