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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: 5-amino-2-methyl-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]pyridine-3-carboxamide 5-amino-2-methyl-N-[(2R)-2-methy…

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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) 1.60 5.09 -44.34 4 5 1 72 291.419 5 ↓
Lo Low (pH 4.5-6) 1.60 5.5 -81.29 5 5 2 74 292.427 5 ↓

Analogs

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Popular Name: 5-amino-2-methyl-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]pyridine-3-carboxamide 5-amino-2-methyl-N-[(2S)-2-methy…

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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) 1.60 5.08 -44.27 4 5 1 72 291.419 5 ↓
Lo Low (pH 4.5-6) 1.60 5.48 -81.23 5 5 2 74 292.427 5 ↓

Analogs

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Popular Name: 5,6-dichloro-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]pyridine-3-carboxamide 5,6-dichloro-N-[3-[(2R)-2-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) 3.06 7.08 -46.31 2 4 1 46 331.267 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dichloro-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]pyridine-3-carboxamide 5,6-dichloro-N-[3-[(2S)-2-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) 3.06 7.19 -46.04 2 4 1 46 331.267 5 ↓

Analogs

40121302
40121302
40538576
40538576
40538578
40538578
44909165
44909165
45299671
45299671

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-[3-[(2R)-2-methyl-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) 2.70 7.4 -47.24 2 5 1 56 360.4 8 ↓

Analogs

40121302
40121302
40538576
40538576
40538578
40538578
44909165
44909165
45299671
45299671

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-[3-[(2S)-2-methyl-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) 2.70 7.4 -47.24 2 5 1 56 360.4 8 ↓

Analogs

44966932
44966932
48609095
48609095
19719155
19719155

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethoxy-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]pyridine-3-carboxamide 6-ethoxy-N-[3-[(2S)-2-methyl-1-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) 2.21 5.7 -41.88 2 5 1 56 306.43 7 ↓

Analogs

44966932
44966932
48609095
48609095
19719155
19719155

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethoxy-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]pyridine-3-carboxamide 6-ethoxy-N-[3-[(2R)-2-methyl-1-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) 2.21 5.7 -41.92 2 5 1 56 306.43 7 ↓

Analogs

40556174
40556174
41926884
41926884
47829185
47829185
49086367
49086367
49086370
49086370

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-2-methylsulfanyl-pyridine-3-carboxamide N-[3-[(2R)-2-methyl-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) 2.32 7.42 -44.9 2 4 1 46 308.471 6 ↓

Analogs

40556174
40556174
41926884
41926884
47829185
47829185
49086367
49086367
49086370
49086370

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-2-methylsulfanyl-pyridine-3-carboxamide N-[3-[(2S)-2-methyl-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) 2.32 7.42 -44.85 2 4 1 46 308.471 6 ↓

Analogs

47829185
47829185
53325131
53325131
57167652
57167652

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-2-propylsulfanyl-pyridine-3-carboxamide N-[3-[(2S)-2-methyl-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) 3.20 9.1 -44.71 2 4 1 46 336.525 8 ↓

Analogs

47829185
47829185
53325131
53325131
57167652
57167652

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-2-propylsulfanyl-pyridine-3-carboxamide N-[3-[(2R)-2-methyl-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) 3.20 9.1 -44.7 2 4 1 46 336.525 8 ↓

Analogs

47829185
47829185
57167652
57167652

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylsulfanyl-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]pyridine-3-carboxamide 2-ethylsulfanyl-N-[3-[(2S)-2-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) 2.70 8.31 -44.81 2 4 1 46 322.498 7 ↓

Analogs

47829185
47829185
57167652
57167652

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylsulfanyl-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]pyridine-3-carboxamide 2-ethylsulfanyl-N-[3-[(2R)-2-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) 2.70 8.31 -44.81 2 4 1 46 322.498 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-2-pentylsulfanyl-pyridine-3-carboxamide N-[3-[(2S)-2-methyl-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) 4.26 10.66 -44.51 2 4 1 46 364.579 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-2-pentylsulfanyl-pyridine-3-carboxamide N-[3-[(2R)-2-methyl-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) 4.26 10.66 -44.51 2 4 1 46 364.579 10 ↓

Parameters Provided:

ring.id = 18264
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 = 18264 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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