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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-[[6-(2-methoxyethoxy)-1,3-benzodioxol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]p (6R)-N-[[6-(2-methoxyethoxy)-1,3…

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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) 0.81 5.6 -56.24 2 8 1 84 347.395 7 ↓
Hi High (pH 8-9.5) 0.81 4.42 -11.89 1 8 0 80 346.387 7 ↓

Analogs

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

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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) 0.81 5.59 -56.03 2 8 1 84 347.395 7 ↓
Hi High (pH 8-9.5) 0.81 4.4 -12.56 1 8 0 80 346.387 7 ↓

Analogs

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

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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) 0.72 5.32 -66.31 2 7 1 75 303.342 4 ↓
Hi High (pH 8-9.5) 0.72 4.17 -13.89 1 7 0 70 302.334 4 ↓

Analogs

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

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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) 0.72 5.32 -66.77 2 7 1 75 303.342 4 ↓
Hi High (pH 8-9.5) 0.72 4.15 -14.99 1 7 0 70 302.334 4 ↓

Analogs

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

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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) 1.38 5.82 -66.36 2 7 1 75 331.396 5 ↓
Hi High (pH 8-9.5) 1.38 4.64 -14.47 1 7 0 70 330.388 5 ↓

Analogs

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

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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) 1.38 5.82 -66.88 2 7 1 75 331.396 5 ↓
Hi High (pH 8-9.5) 1.38 4.66 -14.4 1 7 0 70 330.388 5 ↓

Analogs

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

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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) 0.81 5.21 -66.61 2 7 1 75 317.369 4 ↓
Hi High (pH 8-9.5) 0.81 4.03 -14.58 1 7 0 70 316.361 4 ↓

Analogs

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

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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) 0.81 5.21 -67.14 2 7 1 75 317.369 4 ↓
Hi High (pH 8-9.5) 0.81 4.05 -14.6 1 7 0 70 316.361 4 ↓

Analogs

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

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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) 1.54 6.55 -64.6 2 6 1 66 307.761 3 ↓
Hi High (pH 8-9.5) 1.54 5.4 -11.63 1 6 0 61 306.753 3 ↓

Analogs

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

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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) 1.54 6.55 -64.66 2 6 1 66 307.761 3 ↓
Hi High (pH 8-9.5) 1.54 5.38 -12.12 1 6 0 61 306.753 3 ↓

Analogs

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Popular Name: (6R)-2-isopropyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a (6R)-2-isopropyl-N-[(7-methoxy-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) 1.87 6.28 -65.85 2 7 1 75 345.423 5 ↓
Hi High (pH 8-9.5) 1.87 5.1 -14.23 1 7 0 70 344.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-isopropyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a (6S)-2-isopropyl-N-[(7-methoxy-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) 1.87 6.28 -66.38 2 7 1 75 345.423 5 ↓
Hi High (pH 8-9.5) 1.87 5.12 -14.18 1 7 0 70 344.415 5 ↓

Parameters Provided:

ring.id = 368745
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 = 368745 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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