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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: (6R)-N-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6R)-N-[[3-(3-thienyl)-1,2,4-oxa…

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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) 0.74 4.75 -61.78 2 7 1 86 303.371 4 ↓
Hi High (pH 8-9.5) 0.74 3.59 -13.92 1 7 0 82 302.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6S)-N-[[3-(3-thienyl)-1,2,4-oxa…

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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) 0.74 4.75 -61.83 2 7 1 86 303.371 4 ↓
Hi High (pH 8-9.5) 0.74 3.56 -14.65 1 7 0 82 302.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-ethyl-N-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a (6R)-2-ethyl-N-[[3-(3-thienyl)-1…

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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) 1.40 5.24 -61.94 2 7 1 86 331.425 5 ↓
Hi High (pH 8-9.5) 1.40 4.06 -14.82 1 7 0 82 330.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-ethyl-N-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a (6S)-2-ethyl-N-[[3-(3-thienyl)-1…

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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) 1.40 5.25 -61.98 2 7 1 86 331.425 5 ↓
Hi High (pH 8-9.5) 1.40 4.08 -14.51 1 7 0 82 330.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-methyl-N-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5- (6R)-2-methyl-N-[[3-(3-thienyl)-…

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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) 0.83 4.64 -62.14 2 7 1 86 317.398 4 ↓
Hi High (pH 8-9.5) 0.83 3.45 -15.07 1 7 0 82 316.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-methyl-N-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5- (6S)-2-methyl-N-[[3-(3-thienyl)-…

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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) 0.83 4.63 -62.27 2 7 1 86 317.398 4 ↓
Hi High (pH 8-9.5) 0.83 3.47 -14.77 1 7 0 82 316.39 4 ↓

Parameters Provided:

ring.id = 383872
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 = 383872 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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