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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-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-am (6R)-N-[(5-phenyl-1,2,4-oxadiazo…

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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) 0.82 5.8 -54.23 2 7 1 86 297.342 4 ↓
Hi High (pH 8-9.5) 0.82 4.65 -11.88 1 7 0 82 296.334 4 ↓

Analogs

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

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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) 0.82 5.8 -54.73 2 7 1 86 297.342 4 ↓
Hi High (pH 8-9.5) 0.82 4.63 -12.82 1 7 0 82 296.334 4 ↓

Analogs

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

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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) 1.27 6.47 -54.09 2 7 1 86 311.369 4 ↓
Hi High (pH 8-9.5) 1.27 5.33 -11.57 1 7 0 82 310.361 4 ↓

Analogs

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

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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) 1.27 6.47 -54.55 2 7 1 86 311.369 4 ↓
Hi High (pH 8-9.5) 1.27 5.31 -12.49 1 7 0 82 310.361 4 ↓

Analogs

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

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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) 1.49 6.29 -54.9 2 7 1 86 325.396 5 ↓
Hi High (pH 8-9.5) 1.49 5.13 -13.35 1 7 0 82 324.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.49 6.29 -54.37 2 7 1 86 325.396 5 ↓
Hi High (pH 8-9.5) 1.49 5.15 -12.18 1 7 0 82 324.388 5 ↓

Analogs

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

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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) 0.88 5.1 -55.38 2 8 1 95 327.368 5 ↓
Hi High (pH 8-9.5) 0.88 3.96 -12.08 1 8 0 91 326.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.88 5.1 -55.74 2 8 1 95 327.368 5 ↓
Hi High (pH 8-9.5) 0.88 3.94 -12.98 1 8 0 91 326.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.91 6.96 -54.95 2 7 1 86 339.423 5 ↓
Hi High (pH 8-9.5) 1.91 5.79 -13.18 1 7 0 82 338.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.91 6.96 -54.39 2 7 1 86 339.423 5 ↓
Hi High (pH 8-9.5) 1.91 5.81 -12.08 1 7 0 82 338.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.93 6.97 -54.71 2 7 1 86 339.423 5 ↓
Hi High (pH 8-9.5) 1.93 5.8 -13 1 7 0 82 338.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.93 6.97 -54.21 2 7 1 86 339.423 5 ↓
Hi High (pH 8-9.5) 1.93 5.83 -11.87 1 7 0 82 338.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.97 4.98 -56.18 2 8 1 95 341.395 5 ↓
Hi High (pH 8-9.5) 0.97 3.81 -13.68 1 8 0 91 340.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.97 4.99 -55.7 2 8 1 95 341.395 5 ↓
Hi High (pH 8-9.5) 0.97 3.85 -12.7 1 8 0 91 340.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-methyl-N-[[5-(m-tolyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a] (6R)-2-methyl-N-[[5-(m-tolyl)-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) 1.34 6.35 -54.65 2 7 1 86 325.396 4 ↓
Hi High (pH 8-9.5) 1.34 5.21 -12.29 1 7 0 82 324.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-methyl-N-[[5-(m-tolyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a] (6S)-2-methyl-N-[[5-(m-tolyl)-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) 1.34 6.35 -55.14 2 7 1 86 325.396 4 ↓
Hi High (pH 8-9.5) 1.34 5.18 -13.32 1 7 0 82 324.388 4 ↓

Parameters Provided:

ring.id = 385846
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 = 385846 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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