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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-[[(3S)-3-methylpyrrolidin-3-yl…

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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) 2.14 5.33 -40.46 2 2 1 20 237.392 2 ↓
Lo Low (pH 4.5-6) 2.14 6.97 -107.43 3 2 2 21 238.4 2 ↓

Analogs

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Popular Name: 5-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-[[(3R)-3-methylpyrrolidin-3-yl…

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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) 2.14 5.55 -41.43 2 2 1 20 237.392 2 ↓
Lo Low (pH 4.5-6) 2.14 7.07 -106.1 3 2 2 21 238.4 2 ↓

Analogs

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Popular Name: 5-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-[[(3S)-3-ethylpyrrolidin-3-yl]…

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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) 2.48 5.99 -42.13 2 2 1 20 251.419 3 ↓
Lo Low (pH 4.5-6) 2.48 7.54 -109.53 3 2 2 21 252.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-[[(3R)-3-ethylpyrrolidin-3-yl]…

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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) 2.48 5.92 -42.04 2 2 1 20 251.419 3 ↓
Lo Low (pH 4.5-6) 2.48 7.45 -108.05 3 2 2 21 252.427 3 ↓

Analogs

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Popular Name: 5-[[(3S)-3-propylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-[[(3S)-3-propylpyrrolidin-3-yl…

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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) 3.03 6.75 -42.5 2 2 1 20 265.446 4 ↓
Lo Low (pH 4.5-6) 3.03 8.31 -111.57 3 2 2 21 266.454 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3R)-3-propylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-[[(3R)-3-propylpyrrolidin-3-yl…

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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) 3.03 6.65 -42.94 2 2 1 20 265.446 4 ↓
Lo Low (pH 4.5-6) 3.03 8.19 -110.21 3 2 2 21 266.454 4 ↓

Analogs

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Popular Name: (4R)-4-methyl-5-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (4R)-4-methyl-5-[[(3R)-3-methylp…

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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 4.44 -41.96 2 2 1 20 251.419 2 ↓
Lo Low (pH 4.5-6) 2.70 7.45 -106.41 3 2 2 21 252.427 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-5-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-4-methyl-5-[[(3R)-3-methylp…

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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 6.09 -42 2 2 1 20 251.419 2 ↓
Lo Low (pH 4.5-6) 2.70 7.57 -103.9 3 2 2 21 252.427 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-5-[[(3S)-3-ethylpyrrolidin-…

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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) 3.03 6.68 -38.14 2 2 1 20 265.446 3 ↓
Lo Low (pH 4.5-6) 3.03 7.89 -107.19 3 2 2 21 266.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-5-[[(3R)-3-ethylpyrrolidin-…

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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) 3.03 6.45 -42.6 2 2 1 20 265.446 3 ↓
Lo Low (pH 4.5-6) 3.03 7.95 -105.67 3 2 2 21 266.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-5-[[(3S)-3-propylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-4-methyl-5-[[(3S)-3-propylp…

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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) 3.59 7.44 -38.61 2 2 1 20 279.473 4 ↓
Lo Low (pH 4.5-6) 3.59 8.66 -109.14 3 2 2 21 280.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-5-[[(3R)-3-propylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-4-methyl-5-[[(3R)-3-propylp…

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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) 3.59 7.19 -43.57 2 2 1 20 279.473 4 ↓
Lo Low (pH 4.5-6) 3.59 8.68 -107.95 3 2 2 21 280.481 4 ↓

Parameters Provided:

ring.id = 306443
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 = 306443 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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