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Analogs

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Popular Name: 2-methoxy-N-[[(3R)-3-piperidyl]methyl]pyridine-3-carboxamide 2-methoxy-N-[[(3R)-3-piperidyl]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) 0.45 2.58 -51.85 3 5 1 68 250.322 4 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(3S)-3-piperidyl]methyl]pyridine-3-carboxamide 2-methoxy-N-[[(3S)-3-piperidyl]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) 0.45 2.58 -51.85 3 5 1 68 250.322 4 ↓

Analogs

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Popular Name: 2-methoxy-N-[(1S)-1-[(3R)-3-piperidyl]ethyl]pyridine-3-carboxamide 2-methoxy-N-[(1S)-1-[(3R)-3-pipe…

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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) 0.78 3.06 -51.9 3 5 1 68 264.349 4 ↓

Analogs

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Popular Name: 2-methoxy-N-[(1R)-1-[(3R)-3-piperidyl]ethyl]pyridine-3-carboxamide 2-methoxy-N-[(1R)-1-[(3R)-3-pipe…

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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) 0.78 3.34 -53.17 3 5 1 68 264.349 4 ↓

Analogs

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Popular Name: 2-methoxy-N-[(1S)-1-[(3S)-3-piperidyl]ethyl]pyridine-3-carboxamide 2-methoxy-N-[(1S)-1-[(3S)-3-pipe…

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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) 0.78 3.34 -53.18 3 5 1 68 264.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1R)-1-[(3S)-3-piperidyl]ethyl]pyridine-3-carboxamide 2-methoxy-N-[(1R)-1-[(3S)-3-pipe…

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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) 0.78 3.08 -51.8 3 5 1 68 264.349 4 ↓

Analogs

39262744
39262744
39263916
39263916

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Popular Name: N-[[(3R)-1-ethyl-3-piperidyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide N-[[(3R)-1-ethyl-3-piperidyl]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) 1.96 6.86 -44.53 2 4 1 46 294.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-ethyl-3-piperidyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide N-[[(3S)-1-ethyl-3-piperidyl]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) 1.96 6.86 -44.53 2 4 1 46 294.444 5 ↓

Analogs

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Popular Name: 2,6-dimethoxy-N-[[(3S)-1-methylsulfonyl-3-piperidyl]methyl]pyridine-3-carboxamide 2,6-dimethoxy-N-[[(3S)-1-methyls…

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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) 0.82 0.16 -21.06 1 8 0 98 357.432 6 ↓

Analogs

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Popular Name: 2,6-dimethoxy-N-[[(3R)-1-methylsulfonyl-3-piperidyl]methyl]pyridine-3-carboxamide 2,6-dimethoxy-N-[[(3R)-1-methyls…

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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) 0.82 0.19 -19.07 1 8 0 98 357.432 6 ↓

Analogs

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Popular Name: 6-amino-N-[[(3R)-1-isobutyl-3-piperidyl]methyl]pyridine-3-carboxamide 6-amino-N-[[(3R)-1-isobutyl-3-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) 1.64 5.87 -41.86 4 5 1 72 291.419 5 ↓

Analogs

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Popular Name: 6-amino-N-[[(3S)-1-isobutyl-3-piperidyl]methyl]pyridine-3-carboxamide 6-amino-N-[[(3S)-1-isobutyl-3-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) 1.64 5.89 -41.79 4 5 1 72 291.419 5 ↓

Parameters Provided:

ring.id = 216771
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 216771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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