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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: (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentanone (2S)-2-(6,7-dihydro-4H-thieno[3,…

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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) 2.06 8.52 -38.06 1 2 1 22 236.36 2 ↓
Mid Mid (pH 6-8) 2.06 6.53 -7.55 0 2 0 20 235.352 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentanone (2R)-2-(6,7-dihydro-4H-thieno[3,…

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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) 2.06 8.35 -42.05 1 2 1 22 236.36 2 ↓
Mid Mid (pH 6-8) 2.06 6.35 -5.89 0 2 0 20 235.352 2 ↓

Analogs

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

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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) 2.62 8.78 -39.12 1 2 1 22 250.387 2 ↓
Mid Mid (pH 6-8) 2.62 6.84 -5.57 0 2 0 20 249.379 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.62 8.97 -35.44 1 2 1 22 250.387 2 ↓
Mid Mid (pH 6-8) 2.62 7.04 -7.26 0 2 0 20 249.379 2 ↓

Parameters Provided:

ring.id = 115384
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 = 115384 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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