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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-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-a (6R)-N-[(5-ethoxy-1,3,4-thiadiaz…

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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) -0.07 1.54 -12.19 1 7 0 78 280.357 5 ↓
Mid Mid (pH 6-8) -0.07 2.7 -60.51 2 7 1 82 281.365 5 ↓

Analogs

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

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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) -0.07 1.52 -11.82 1 7 0 78 280.357 5 ↓
Mid Mid (pH 6-8) -0.07 2.7 -59.58 2 7 1 82 281.365 5 ↓

Analogs

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

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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) 0.59 2.01 -14.24 1 7 0 78 308.411 6 ↓
Mid Mid (pH 6-8) 0.59 3.2 -60.74 2 7 1 82 309.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.59 2.04 -12.69 1 7 0 78 308.411 6 ↓
Mid Mid (pH 6-8) 0.59 3.2 -59.67 2 7 1 82 309.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]py (6R)-N-[(5-ethoxy-1,3,4-thiadiaz…

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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) 0.02 1.43 -12.84 1 7 0 78 294.384 5 ↓
Mid Mid (pH 6-8) 0.02 2.59 -60.98 2 7 1 82 295.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]py (6S)-N-[(5-ethoxy-1,3,4-thiadiaz…

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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) 0.02 1.41 -12.41 1 7 0 78 294.384 5 ↓
Mid Mid (pH 6-8) 0.02 2.59 -59.96 2 7 1 82 295.392 5 ↓

Parameters Provided:

ring.id = 433287
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 = 433287 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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