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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: 4-chloro-2-iodo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 4-chloro-2-iodo-N-([1,2,4]triazo…

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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) 3.67 11.06 -21.73 1 5 0 59 398.591 2 ↓
Hi High (pH 8-9.5) 3.73 10.33 -53.33 0 5 -1 66 397.583 2 ↓

Analogs

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

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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) 3.67 11.07 -19.67 1 5 0 59 398.591 2 ↓
Mid Mid (pH 6-8) 3.73 10.33 -56.3 0 5 -1 66 397.583 2 ↓

Analogs

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

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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) 3.41 11.08 -23.17 1 5 0 59 378.173 2 ↓
Mid Mid (pH 6-8) 3.48 10.36 -60.24 0 5 -1 66 377.165 2 ↓

Analogs

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

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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) 3.15 10.62 -22.09 1 5 0 59 382.136 2 ↓
Hi High (pH 8-9.5) 3.22 9.89 -52.86 0 5 -1 66 381.128 2 ↓

Analogs

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Popular Name: 4-bromo-2-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 4-bromo-2-chloro-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) 3.39 10.6 -23.38 1 5 0 59 351.591 2 ↓
Hi High (pH 8-9.5) 3.46 9.63 -54.79 0 5 -1 66 350.583 2 ↓

Analogs

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Popular Name: 4-bromo-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 4-bromo-2-methyl-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) 3.16 10.77 -20.73 1 5 0 59 331.173 2 ↓
Hi High (pH 8-9.5) 3.23 9.98 -56.32 0 5 -1 66 330.165 2 ↓

Analogs

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Popular Name: 4-bromo-3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 4-bromo-3-fluoro-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) 2.88 10.14 -24.17 1 5 0 59 335.136 2 ↓
Hi High (pH 8-9.5) 2.95 8.45 -55.32 0 5 -1 66 334.128 2 ↓

Analogs

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Popular Name: 2-chloro-6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 2-chloro-6-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) 2.72 9.81 -24.21 1 5 0 59 290.685 2 ↓
Mid Mid (pH 6-8) 2.79 7.89 -66.46 0 5 -1 66 289.677 2 ↓

Analogs

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Popular Name: 2,3-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 2,3-dimethyl-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) 2.78 10.69 -22.11 1 5 0 59 266.304 2 ↓
Hi High (pH 8-9.5) 2.85 9.9 -62.74 0 5 -1 66 265.296 2 ↓

Analogs

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Popular Name: 2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 2,5-dimethyl-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) 2.80 10.83 -21.58 1 5 0 59 266.304 2 ↓
Hi High (pH 8-9.5) 2.87 10.02 -62.94 0 5 -1 66 265.296 2 ↓

Analogs

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Popular Name: 2,6-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 2,6-difluoro-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 9.44 -25.61 1 5 0 59 274.23 2 ↓
Hi High (pH 8-9.5) 2.28 7.52 -70.49 0 5 -1 66 273.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 2-methyl-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) 2.38 10.14 -22.12 1 5 0 59 252.277 2 ↓
Hi High (pH 8-9.5) 2.44 9.35 -62.24 0 5 -1 66 251.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 2,4-dimethyl-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) 2.80 10.83 -21.84 1 5 0 59 266.304 2 ↓
Hi High (pH 8-9.5) 2.87 10.03 -62.35 0 5 -1 66 265.296 2 ↓

Parameters Provided:

ring.id = 540646
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 = 540646 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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