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

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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) 1.30 5.46 -54.62 2 6 1 73 316.41 4 ↓
Hi High (pH 8-9.5) 1.30 4.3 -12.86 1 6 0 69 315.402 4 ↓

Analogs

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

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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) 1.30 5.45 -56.08 2 6 1 73 316.41 4 ↓
Hi High (pH 8-9.5) 1.30 4.28 -14.71 1 6 0 69 315.402 4 ↓

Analogs

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

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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) 1.96 5.89 -56.12 2 6 1 73 344.464 5 ↓
Hi High (pH 8-9.5) 1.96 4.72 -15.22 1 6 0 69 343.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.96 5.9 -54.62 2 6 1 73 344.464 5 ↓
Hi High (pH 8-9.5) 1.96 4.74 -13.2 1 6 0 69 343.456 5 ↓

Parameters Provided:

ring.id = 450793
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 = 450793 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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