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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-(1,3-benzodioxol-5-yloxy)propyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin- (6R)-N-[3-(1,3-benzodioxol-5-ylo…

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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) 2.15 6.89 -63.4 2 7 1 75 345.423 7 ↓
Hi High (pH 8-9.5) 2.15 5.72 -13.34 1 7 0 70 344.415 7 ↓

Analogs

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Popular Name: (6S)-N-[3-(1,3-benzodioxol-5-yloxy)propyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin- (6S)-N-[3-(1,3-benzodioxol-5-ylo…

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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) 2.15 6.88 -63.34 2 7 1 75 345.423 7 ↓
Hi High (pH 8-9.5) 2.15 5.74 -12.8 1 7 0 70 344.415 7 ↓

Analogs

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Popular Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin- (2S)-1-(1,3-benzodioxol-5-yloxy)…

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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) 0.66 3.29 -65.14 3 8 1 95 347.395 6 ↓
Hi High (pH 8-9.5) 0.66 2.13 -15.74 2 8 0 91 346.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin- (2S)-1-(1,3-benzodioxol-5-yloxy)…

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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) 0.66 3.29 -65.31 3 8 1 95 347.395 6 ↓
Hi High (pH 8-9.5) 0.66 2.15 -15.18 2 8 0 91 346.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin- (2R)-1-(1,3-benzodioxol-5-yloxy)…

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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) 0.66 3.24 -65.34 3 8 1 95 347.395 6 ↓
Hi High (pH 8-9.5) 0.66 2.01 -15.9 2 8 0 91 346.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin- (2R)-1-(1,3-benzodioxol-5-yloxy)…

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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) 0.66 3.24 -65.19 3 8 1 95 347.395 6 ↓
Hi High (pH 8-9.5) 0.66 2.04 -15.48 2 8 0 91 346.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[3-(1,3-benzodioxol-5-yloxy)propyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6R)-N-[3-(1,3-benzodioxol-5-ylo…

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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) 1.58 6.28 -63.66 2 7 1 75 331.396 6 ↓
Hi High (pH 8-9.5) 1.58 5.11 -13.55 1 7 0 70 330.388 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[3-(1,3-benzodioxol-5-yloxy)propyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6S)-N-[3-(1,3-benzodioxol-5-ylo…

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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) 1.58 6.28 -63.69 2 7 1 75 331.396 6 ↓
Hi High (pH 8-9.5) 1.58 5.13 -13.04 1 7 0 70 330.388 6 ↓

Parameters Provided:

ring.id = 387941
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 = 387941 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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