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Analogs

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Popular Name: N-(3-methoxyphenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(3-methoxyphenyl)-N'-([1,2,4]t…

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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) 1.82 7.43 -16.27 2 8 0 101 339.355 5 ↓
Hi High (pH 8-9.5) 1.83 6.99 -61.91 1 8 -1 104 338.347 6 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-(4-chlorophenyl)-N-([1,2,4]tr…

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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) 2.46 8.66 -15.14 2 7 0 92 343.774 4 ↓
Hi High (pH 8-9.5) 2.47 8.22 -60.49 1 7 -1 95 342.766 5 ↓

Analogs

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Popular Name: N'-(3-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-(3-fluorophenyl)-N-([1,2,4]tr…

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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 8.21 -17.61 2 7 0 92 327.319 4 ↓
Hi High (pH 8-9.5) 1.93 7.77 -64.16 1 7 -1 95 326.311 5 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-(4-fluorophenyl)-N-([1,2,4]tr…

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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) 1.95 8.21 -15.59 2 7 0 92 327.319 4 ↓
Hi High (pH 8-9.5) 1.96 7.77 -60.89 1 7 -1 95 326.311 5 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(4-ethoxyphenyl)-N'-([1,2,4]tr…

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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) 2.22 8.36 -16.39 2 8 0 101 353.382 6 ↓
Hi High (pH 8-9.5) 2.23 7.92 -62.1 1 8 -1 104 352.374 7 ↓

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(3,4-dimethylphenyl)-N'-([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) 2.61 9.37 -15.99 2 7 0 92 337.383 4 ↓
Hi High (pH 8-9.5) 2.62 8.93 -62.39 1 7 -1 95 336.375 5 ↓

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(3,5-dimethylphenyl)-N'-([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) 2.61 9.48 -15.93 2 7 0 92 337.383 4 ↓
Hi High (pH 8-9.5) 2.62 9.04 -62.32 1 7 -1 95 336.375 5 ↓

Analogs

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Popular Name: N-(4-isopropylphenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(4-isopropylphenyl)-N'-([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) 3.30 10.05 -15.45 2 7 0 92 351.41 5 ↓
Hi High (pH 8-9.5) 3.31 9.62 -61.89 1 7 -1 95 350.402 6 ↓

Analogs

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Popular Name: N-(p-tolyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(p-tolyl)-N'-([1,2,4]triazolo[…

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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) 2.23 8.81 -15.8 2 7 0 92 323.356 4 ↓
Hi High (pH 8-9.5) 2.24 8.37 -62.15 1 7 -1 95 322.348 5 ↓

Analogs

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Popular Name: N-(m-tolyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(m-tolyl)-N'-([1,2,4]triazolo[…

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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) 2.21 8.81 -15.72 2 7 0 92 323.356 4 ↓
Hi High (pH 8-9.5) 2.22 8.37 -61.97 1 7 -1 95 322.348 5 ↓

Analogs

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Popular Name: N-phenyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-phenyl-N'-([1,2,4]triazolo[4,3…

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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) 1.79 8.13 -15.81 2 7 0 92 309.329 4 ↓
Hi High (pH 8-9.5) 1.80 7.69 -62.09 1 7 -1 95 308.321 5 ↓

Parameters Provided:

ring.id = 386368
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 = 386368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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