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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)-2-ethyl-N-[[2-(2-thienyl)oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6 (6R)-2-ethyl-N-[[2-(2-thienyl)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) 1.94 5.24 -56.01 2 6 1 73 330.437 5 ↓
Hi High (pH 8-9.5) 1.94 4.07 -12.4 1 6 0 69 329.429 5 ↓

Analogs

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Popular Name: (6S)-2-ethyl-N-[[2-(2-thienyl)oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6 (6S)-2-ethyl-N-[[2-(2-thienyl)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) 1.94 5.24 -57.51 2 6 1 73 330.437 5 ↓
Hi High (pH 8-9.5) 1.94 4.09 -13.18 1 6 0 69 329.429 5 ↓

Analogs

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

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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) 2.42 5.7 -55.52 2 6 1 73 344.464 5 ↓
Hi High (pH 8-9.5) 2.42 4.53 -12.21 1 6 0 69 343.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.42 5.7 -57.1 2 6 1 73 344.464 5 ↓
Hi High (pH 8-9.5) 2.42 4.55 -13.08 1 6 0 69 343.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.28 4.74 -55.94 2 6 1 73 302.383 4 ↓
Hi High (pH 8-9.5) 1.28 3.6 -13.04 1 6 0 69 301.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.28 4.74 -57.36 2 6 1 73 302.383 4 ↓
Hi High (pH 8-9.5) 1.28 3.57 -14.88 1 6 0 69 301.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-methyl-N-[[2-(2-thienyl)oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin- (6R)-2-methyl-N-[[2-(2-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) 1.36 4.63 -56.27 2 6 1 73 316.41 4 ↓
Hi High (pH 8-9.5) 1.36 3.46 -12.55 1 6 0 69 315.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-methyl-N-[[2-(2-thienyl)oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin- (6S)-2-methyl-N-[[2-(2-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) 1.36 4.63 -57.78 2 6 1 73 316.41 4 ↓
Hi High (pH 8-9.5) 1.36 3.49 -13.41 1 6 0 69 315.402 4 ↓

Parameters Provided:

ring.id = 469779
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 = 469779 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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