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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(2R)-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-4-carboxylic 1-[(2R)-2,3-dihydrobenzothiophen…

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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) 1.72 8.84 -52.35 0 4 -1 60 290.364 2 ↓

Analogs

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Popular Name: 1-[(2S)-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-4-carboxylic 1-[(2S)-2,3-dihydrobenzothiophen…

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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) 1.72 8.81 -52.4 0 4 -1 60 290.364 2 ↓

Analogs

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Popular Name: (2R)-1-[(2R)-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-2-carboxylic (2R)-1-[(2R)-2,3-dihydrobenzothi…

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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) 0.39 9.87 -63.56 0 4 -1 60 290.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2S)-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-2-carboxylic (2R)-1-[(2S)-2,3-dihydrobenzothi…

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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) 0.39 9.74 -64.28 0 4 -1 60 290.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(2R)-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-2-carboxylic (2S)-1-[(2R)-2,3-dihydrobenzothi…

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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) 0.39 9.64 -63.17 0 4 -1 60 290.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(2S)-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-2-carboxylic (2S)-1-[(2S)-2,3-dihydrobenzothi…

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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) 0.39 9.65 -63.29 0 4 -1 60 290.364 2 ↓

Analogs

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Popular Name: 1-[(2S)-2,3-dihydrobenzothiophene-2-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2,3-dihydrobenzothiophen…

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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) 1.97 9.06 -52.84 0 4 -1 60 304.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2,3-dihydrobenzothiophene-2-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2,3-dihydrobenzothiophen…

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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) 1.97 9.08 -53.31 0 4 -1 60 304.391 2 ↓

Analogs

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Popular Name: (3S)-1-[(2S)-2,3-dihydrobenzothiophene-2-carbonyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(2S)-2,3-dihydrobenzothi…

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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) 1.97 9.52 -46.16 0 4 -1 60 304.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2S)-2,3-dihydrobenzothiophene-2-carbonyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(2S)-2,3-dihydrobenzothi…

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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) 1.97 9.49 -53.32 0 4 -1 60 304.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2R)-2,3-dihydrobenzothiophene-2-carbonyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(2R)-2,3-dihydrobenzothi…

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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) 1.97 9.52 -54.14 0 4 -1 60 304.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2R)-2,3-dihydrobenzothiophene-2-carbonyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(2R)-2,3-dihydrobenzothi…

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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) 1.97 9.44 -45.35 0 4 -1 60 304.391 2 ↓

Analogs

41838380
41838380
41838383
41838383
41838386
41838386
25254168
25254168
25254173
25254173

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Popular Name: (3S)-1-[(2S)-6-methyl-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-3-carboxamide (3S)-1-[(2S)-6-methyl-2,3-dihydr…

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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) 1.63 5.56 -11.74 2 4 0 63 304.415 2 ↓

Analogs

41838383
41838383
41838386
41838386
41838377
41838377
25254168
25254168
25254173
25254173

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2R)-6-methyl-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-3-carboxamide (3S)-1-[(2R)-6-methyl-2,3-dihydr…

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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) 1.63 5.56 -15.72 2 4 0 63 304.415 2 ↓

Analogs

41838386
41838386
41838377
41838377
41838380
41838380
25254168
25254168
25254173
25254173

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2S)-6-methyl-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-3-carboxamide (3R)-1-[(2S)-6-methyl-2,3-dihydr…

Find On: PubMed — Wikipedia — Google

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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) 1.63 5.57 -14.72 2 4 0 63 304.415 2 ↓

Analogs

41838377
41838377
41838380
41838380
41838383
41838383
25254168
25254168
25254173
25254173

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2R)-6-methyl-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-3-carboxamide (3R)-1-[(2R)-6-methyl-2,3-dihydr…

Find On: PubMed — Wikipedia — Google

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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) 1.63 5.57 -16.93 2 4 0 63 304.415 2 ↓

Parameters Provided:

ring.id = 126947
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 = 126947 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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