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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-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-[(1R)-1-(3-tert-butyl-1,2,4-ox…

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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) 3.37 5.09 -7.33 0 4 0 42 291.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-[(1S)-1-(3-tert-butyl-1,2,4-ox…

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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) 3.37 4.97 -7.35 0 4 0 42 291.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-propyl-1,2,4-oxadiazole 5-[(1R)-1-(6,7-dihydro-4H-thieno…

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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) 2.72 4.75 -8.26 0 4 0 42 277.393 4 ↓
Mid Mid (pH 6-8) 2.72 6.88 -41.29 1 4 1 43 278.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-propyl-1,2,4-oxadiazole 5-[(1S)-1-(6,7-dihydro-4H-thieno…

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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) 2.72 4.64 -8.18 0 4 0 42 277.393 4 ↓
Mid Mid (pH 6-8) 2.72 6.86 -40.13 1 4 1 43 278.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-ethyl-1,2,4-oxadiazole 5-[(1R)-1-(6,7-dihydro-4H-thieno…

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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) 2.22 3.98 -8.56 0 4 0 42 263.366 3 ↓
Mid Mid (pH 6-8) 2.22 6.11 -41.37 1 4 1 43 264.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-ethyl-1,2,4-oxadiazole 5-[(1S)-1-(6,7-dihydro-4H-thieno…

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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) 2.22 3.87 -8.47 0 4 0 42 263.366 3 ↓
Mid Mid (pH 6-8) 2.22 6.09 -40.19 1 4 1 43 264.374 3 ↓

Parameters Provided:

ring.id = 141676
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 = 141676 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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