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Analogs

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Popular Name: 2-chloro-5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 2-chloro-5-fluoro-N-([1,2,4]tria…

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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) 2.92 9.15 -12.73 1 5 0 63 290.685 1 ↓
Mid Mid (pH 6-8) 2.82 9.09 -58.75 0 5 -1 66 289.677 2 ↓

Analogs

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Popular Name: 4-chloro-2-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 4-chloro-2-methoxy-N-([1,2,4]tri…

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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) 3.37 9.54 -15.08 1 6 0 72 302.721 2 ↓
Mid Mid (pH 6-8) 2.71 8.22 -60.79 0 6 -1 75 301.713 3 ↓

Analogs

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Popular Name: 4-methoxy-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 4-methoxy-2-methyl-N-([1,2,4]tri…

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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) 2.59 8.54 -13.78 1 6 0 72 282.303 2 ↓
Mid Mid (pH 6-8) 2.48 8.66 -60.15 0 6 -1 75 281.295 3 ↓

Analogs

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Popular Name: 3-chloro-4-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 3-chloro-4-fluoro-N-([1,2,4]tria…

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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) 2.92 9.13 -13.02 1 5 0 63 290.685 1 ↓
Mid Mid (pH 6-8) 2.82 8.34 -54.95 0 5 -1 66 289.677 2 ↓

Analogs

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Popular Name: 3-chloro-N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 3-chloro-N-(5-ethoxy-[1,2,4]tria…

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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) 3.36 9.08 -15.44 1 6 0 72 316.748 3 ↓
Mid Mid (pH 6-8) 3.25 8.18 -63.92 0 6 -1 75 315.74 4 ↓

Analogs

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Popular Name: N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,5-dimethoxy-benzamide N-(5-ethoxy-[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) 2.75 7.18 -18.04 1 8 0 90 342.355 5 ↓
Hi High (pH 8-9.5) 2.64 6.28 -69.16 0 8 -1 93 341.347 6 ↓

Analogs

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Popular Name: N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-methyl-benzamide N-(5-ethoxy-[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) 3.16 9.25 -16.02 1 6 0 72 296.33 3 ↓
Hi High (pH 8-9.5) 3.05 8.35 -66.93 0 6 -1 75 295.322 4 ↓

Analogs

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Popular Name: N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-difluoro-benzamide N-(5-ethoxy-[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) 2.97 8.7 -15.89 1 6 0 72 318.283 3 ↓
Hi High (pH 8-9.5) 2.86 8.13 -61.21 0 6 -1 75 317.275 4 ↓

Analogs

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Popular Name: N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide N-(5-ethoxy-[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) 3.61 9.57 -13.59 1 6 0 72 350.3 4 ↓
Hi High (pH 8-9.5) 3.50 8.67 -59.06 0 6 -1 75 349.292 5 ↓

Analogs

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Popular Name: N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-fluoro-benzamide N-(5-ethoxy-[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) 2.87 8.64 -13.84 1 6 0 72 300.293 3 ↓
Hi High (pH 8-9.5) 2.77 7.74 -60.09 0 6 -1 75 299.285 4 ↓

Analogs

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Popular Name: N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide N-(5-ethoxy-[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) 2.71 8.57 -16.16 1 6 0 72 282.303 3 ↓
Hi High (pH 8-9.5) 2.60 7.67 -66.93 0 6 -1 75 281.295 4 ↓

Analogs

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Popular Name: N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-fluoro-benzamide N-(5-ethoxy-[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) 2.85 8.64 -16.1 1 6 0 72 300.293 3 ↓
Mid Mid (pH 6-8) 2.74 7.74 -64.74 0 6 -1 75 299.285 4 ↓

Analogs

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Popular Name: N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(trifluoromethyl)benzamide N-(5-ethoxy-[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) 3.58 9.58 -15.84 1 6 0 72 350.3 4 ↓
Hi High (pH 8-9.5) 3.47 8.68 -63.6 0 6 -1 75 349.292 5 ↓

Analogs

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Popular Name: 4-(diethylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 4-(diethylamino)-N-([1,2,4]triaz…

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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) 3.01 10.88 -14.93 1 6 0 66 309.373 4 ↓
Mid Mid (pH 6-8) 2.90 10.09 -64.08 0 6 -1 69 308.365 5 ↓
Lo Low (pH 4.5-6) 3.01 10.98 -41.93 2 6 0 67 310.381 4 ↓

Analogs

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Popular Name: 2,3-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 2,3-dimethoxy-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) 2.52 8.79 -18.32 1 7 0 81 298.302 3 ↓
Mid Mid (pH 6-8) 1.86 8.04 -64.78 0 7 -1 84 297.294 4 ↓

Parameters Provided:

ring.id = 214266
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 = 214266 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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