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

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-ethyl-N-[[3-(3-pyridyl)-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-pyridyl)-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) 0.74 4.6 -63.69 2 8 1 99 326.384 5 ↓
Hi High (pH 8-9.5) 0.74 3.43 -15.13 1 8 0 95 325.376 5 ↓
Lo Low (pH 4.5-6) 0.74 5.07 -111.15 3 8 2 100 327.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-ethyl-N-[[3-(3-pyridyl)-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-pyridyl)-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) 0.74 4.61 -63.42 2 8 1 99 326.384 5 ↓
Hi High (pH 8-9.5) 0.74 3.45 -14.35 1 8 0 95 325.376 5 ↓
Lo Low (pH 4.5-6) 0.74 5.07 -111.99 3 8 2 100 327.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.17 4.01 -63.92 2 8 1 99 312.357 4 ↓
Hi High (pH 8-9.5) 0.17 2.82 -15.3 1 8 0 95 311.349 4 ↓
Lo Low (pH 4.5-6) 0.17 4.46 -111.41 3 8 2 100 313.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.17 4.01 -63.69 2 8 1 99 312.357 4 ↓
Hi High (pH 8-9.5) 0.17 2.84 -14.57 1 8 0 95 311.349 4 ↓
Lo Low (pH 4.5-6) 0.17 4.46 -112.27 3 8 2 100 313.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6R)-N-[[3-(3-pyridyl)-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) 0.08 4.11 -63.49 2 8 1 99 298.33 4 ↓
Hi High (pH 8-9.5) 0.08 2.95 -13.88 1 8 0 95 297.322 4 ↓
Lo Low (pH 4.5-6) 0.08 4.57 -113.7 3 8 2 100 299.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6S)-N-[[3-(3-pyridyl)-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) 0.08 4.11 -63.25 2 8 1 99 298.33 4 ↓
Hi High (pH 8-9.5) 0.08 2.93 -14.22 1 8 0 95 297.322 4 ↓
Lo Low (pH 4.5-6) 0.08 4.57 -115.16 3 8 2 100 299.338 4 ↓

Parameters Provided:

ring.id = 383622
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 = 383622 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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