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

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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) 2.10 8.61 -63.61 2 6 1 73 324.408 5 ↓
Hi High (pH 8-9.5) 2.10 7.43 -13.49 1 6 0 69 323.4 5 ↓

Analogs

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

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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) 2.10 8.61 -65.07 2 6 1 73 324.408 5 ↓
Hi High (pH 8-9.5) 2.10 7.45 -14.2 1 6 0 69 323.4 5 ↓

Analogs

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

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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) 2.55 9.28 -63.61 2 6 1 73 338.435 5 ↓
Hi High (pH 8-9.5) 2.55 8.1 -13.37 1 6 0 69 337.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.55 9.28 -64.97 2 6 1 73 338.435 5 ↓
Hi High (pH 8-9.5) 2.55 8.13 -14.07 1 6 0 69 337.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[[3-(p-tolyl)isoxazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6R)-N-[[3-(p-tolyl)isoxazol-5-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) 1.89 8.79 -63.45 2 6 1 73 310.381 4 ↓
Hi High (pH 8-9.5) 1.89 7.63 -13.7 1 6 0 69 309.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[3-(p-tolyl)isoxazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-[[3-(p-tolyl)isoxazol-5-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) 1.89 8.79 -64.85 2 6 1 73 310.381 4 ↓
Hi High (pH 8-9.5) 1.89 7.61 -15.5 1 6 0 69 309.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.44 8.11 -63.52 2 6 1 73 296.354 4 ↓
Hi High (pH 8-9.5) 1.44 6.95 -13.87 1 6 0 69 295.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.44 8.11 -64.98 2 6 1 73 296.354 4 ↓
Hi High (pH 8-9.5) 1.44 6.93 -15.66 1 6 0 69 295.346 4 ↓

Analogs

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

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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) 2.12 8.63 -65.21 2 6 1 73 330.799 4 ↓
Hi High (pH 8-9.5) 2.12 7.47 -13.21 1 6 0 69 329.791 4 ↓

Analogs

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

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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) 2.12 8.63 -66.58 2 6 1 73 330.799 4 ↓
Hi High (pH 8-9.5) 2.12 7.45 -14.97 1 6 0 69 329.791 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.53 8 -63.89 2 6 1 73 310.381 4 ↓
Hi High (pH 8-9.5) 1.53 6.82 -13.65 1 6 0 69 309.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.53 8 -65.36 2 6 1 73 310.381 4 ↓
Hi High (pH 8-9.5) 1.53 6.84 -14.44 1 6 0 69 309.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.98 8.68 -63.81 2 6 1 73 324.408 4 ↓
Hi High (pH 8-9.5) 1.98 7.52 -14.36 1 6 0 69 323.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.98 8.68 -65.22 2 6 1 73 324.408 4 ↓
Hi High (pH 8-9.5) 1.98 7.5 -16.14 1 6 0 69 323.4 4 ↓

Parameters Provided:

ring.id = 431148
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 = 431148 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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