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Popular Name: [(2R)-1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl]methanamine [(2R)-1-thieno[3,2-c]pyridin-4-y…

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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) 1.23 5.7 -98.92 4 3 2 45 235.356 2 ↓
Hi High (pH 8-9.5) 1.23 5.29 -34.02 3 3 1 44 234.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl]methanamine [(2S)-1-thieno[3,2-c]pyridin-4-y…

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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) 1.23 5.68 -98.86 4 3 2 45 235.356 2 ↓
Hi High (pH 8-9.5) 1.23 5.25 -34.15 3 3 1 44 234.348 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-thieno[3,2-c]pyridin-4-yl-pyrrolidine-3-carboxylic (3S)-3-methyl-1-thieno[3,2-c]pyr…

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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) 2.03 8.35 -50.23 1 4 0 58 262.334 2 ↓
Hi High (pH 8-9.5) 2.03 7.6 -46.49 0 4 -1 56 261.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-thieno[3,2-c]pyridin-4-yl-pyrrolidine-3-carboxylic (3R)-3-methyl-1-thieno[3,2-c]pyr…

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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) 2.03 8.04 -46.3 1 4 0 58 262.334 2 ↓
Hi High (pH 8-9.5) 2.03 7.64 -48.06 0 4 -1 56 261.326 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-thieno[3,2-c]pyridin-4-yl-pyrrolidine-3-carboxylic (3S)-3-ethyl-1-thieno[3,2-c]pyri…

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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) 2.36 8.85 -49.04 1 4 0 58 276.361 3 ↓
Hi High (pH 8-9.5) 2.36 8.09 -45.63 0 4 -1 56 275.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-thieno[3,2-c]pyridin-4-yl-pyrrolidine-3-carboxylic (3R)-3-ethyl-1-thieno[3,2-c]pyri…

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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) 2.36 8.92 -45.04 1 4 0 58 276.361 3 ↓
Hi High (pH 8-9.5) 2.36 8.19 -47.67 0 4 -1 56 275.353 3 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-thieno[3,2-c]pyridin-4-yl-pyrrolidine-3-carboxylic (3S)-3-propyl-1-thieno[3,2-c]pyr…

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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) 2.92 9.61 -49.24 1 4 0 58 290.388 4 ↓
Hi High (pH 8-9.5) 2.92 8.85 -45.94 0 4 -1 56 289.38 4 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-thieno[3,2-c]pyridin-4-yl-pyrrolidine-3-carboxylic (3R)-3-propyl-1-thieno[3,2-c]pyr…

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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) 2.92 9.68 -45.12 1 4 0 58 290.388 4 ↓
Hi High (pH 8-9.5) 2.92 8.96 -47.95 0 4 -1 56 289.38 4 ↓

Analogs

42434620
42434620

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Popular Name: [(2R)-1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl]methanol [(2R)-1-thieno[3,2-c]pyridin-4-y…

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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) 1.79 4.79 -26.56 2 3 1 38 235.332 2 ↓
Hi High (pH 8-9.5) 1.79 4.27 -7.32 1 3 0 36 234.324 2 ↓

Analogs

42434619
42434619

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Popular Name: [(2S)-1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl]methanol [(2S)-1-thieno[3,2-c]pyridin-4-y…

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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) 1.79 4.78 -26.58 2 3 1 38 235.332 2 ↓
Hi High (pH 8-9.5) 1.79 4.27 -7.29 1 3 0 36 234.324 2 ↓

Parameters Provided:

ring.id = 109115
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 = 109115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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