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Analogs

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Popular Name: (3R)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3R)-N-[(4R)-4,5,6,7-tetrahydrob…

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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) 0.72 5.38 -42.15 3 3 1 46 265.402 2 ↓

Analogs

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Popular Name: (3R)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3R)-N-[(4S)-4,5,6,7-tetrahydrob…

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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) 0.72 5.23 -42.93 3 3 1 46 265.402 2 ↓

Analogs

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Popular Name: (3S)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3S)-N-[(4R)-4,5,6,7-tetrahydrob…

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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) 0.72 5.38 -42.65 3 3 1 46 265.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3S)-N-[(4S)-4,5,6,7-tetrahydrob…

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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) 0.72 5.23 -42.7 3 3 1 46 265.402 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(4R)-4,5,6,7-tet…

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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 6.47 -34.56 3 3 1 46 293.456 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(4R)-4,5,6,7-tet…

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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 6.54 -36.13 3 3 1 46 293.456 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(4S)-4,5,6,7-tet…

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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 6.32 -35.45 3 3 1 46 293.456 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(4S)-4,5,6,7-tet…

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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 6.14 -36.04 3 3 1 46 293.456 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3S)-3-methyl-N-[(4R)-4,5,6,7-te…

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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) 1.29 6.09 -33.85 3 3 1 46 279.429 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3R)-3-methyl-N-[(4R)-4,5,6,7-te…

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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) 1.29 6.09 -34.78 3 3 1 46 279.429 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3S)-3-methyl-N-[(4S)-4,5,6,7-te…

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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) 1.29 5.91 -35.09 3 3 1 46 279.429 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3R)-3-methyl-N-[(4S)-4,5,6,7-te…

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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) 1.29 5.76 -35.2 3 3 1 46 279.429 2 ↓

Analogs

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Popular Name: (3S)-3-propyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3S)-3-propyl-N-[(4R)-4,5,6,7-te…

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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) 2.18 7.23 -34.94 3 3 1 46 307.483 4 ↓

Analogs

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Popular Name: (3R)-3-propyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3R)-3-propyl-N-[(4R)-4,5,6,7-te…

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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) 2.18 7.3 -36.57 3 3 1 46 307.483 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3S)-3-propyl-N-[(4S)-4,5,6,7-te…

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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) 2.18 7.09 -36.14 3 3 1 46 307.483 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidine-3-carboxamide (3R)-3-propyl-N-[(4S)-4,5,6,7-te…

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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) 2.18 6.9 -36.49 3 3 1 46 307.483 4 ↓

Parameters Provided:

ring.id = 212112
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 = 212112 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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