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Analogs

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Popular Name: (7S)-7-(2,4-dimethoxyphenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7S)-7-(2,4-dimethoxyphenyl)-2-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) 1.26 8.49 -63.03 1 8 -1 105 315.309 4 ↓
Lo Low (pH 4.5-6) 0.88 7.57 -19.81 1 8 0 103 316.317 4 ↓

Analogs

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Popular Name: (7R)-7-(2,4-dimethoxyphenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7R)-7-(2,4-dimethoxyphenyl)-2-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) 1.26 8.45 -62.99 1 8 -1 105 315.309 4 ↓
Lo Low (pH 4.5-6) 0.88 7.99 -19.61 1 8 0 103 316.317 4 ↓

Analogs

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Popular Name: (7S)-2-methyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7S)-2-methyl-7-(2,4,5-trimethox…

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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) 0.85 8.4 -65 1 9 -1 114 345.335 5 ↓
Lo Low (pH 4.5-6) 0.47 7.49 -22.53 1 9 0 113 346.343 5 ↓

Analogs

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Popular Name: (7R)-2-methyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7R)-2-methyl-7-(2,4,5-trimethox…

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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) 0.85 8.35 -64.98 1 9 -1 114 345.335 5 ↓
Lo Low (pH 4.5-6) 0.47 7.91 -21.52 1 9 0 113 346.343 5 ↓

Analogs

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Popular Name: (7S)-2-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7S)-2-methyl-7-(3,4,5-trimethox…

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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) 0.85 8.82 -61.9 1 9 -1 114 345.335 5 ↓
Lo Low (pH 4.5-6) 0.47 8.01 -26.06 1 9 0 113 346.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(2,5-dimethoxyphenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7S)-7-(2,5-dimethoxyphenyl)-2-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) 0.88 7.16 -54.98 0 8 -1 102 315.309 4 ↓
Lo Low (pH 4.5-6) 0.88 7.57 -22.03 1 8 0 103 316.317 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2,5-dimethoxyphenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7R)-7-(2,5-dimethoxyphenyl)-2-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) 0.88 7.58 -50.66 0 8 -1 102 315.309 4 ↓
Lo Low (pH 4.5-6) 0.88 7.99 -19.57 1 8 0 103 316.317 4 ↓

Analogs

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Popular Name: (7S)-2-ethyl-7-(4-hydroxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7S)-2-ethyl-7-(4-hydroxyphenyl)…

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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) 0.93 6.25 -50.69 1 7 -1 103 285.283 3 ↓
Lo Low (pH 4.5-6) 0.93 6.65 -23.07 2 7 0 105 286.291 3 ↓

Analogs

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Popular Name: (7R)-2-ethyl-7-(4-hydroxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7R)-2-ethyl-7-(4-hydroxyphenyl)…

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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) 0.93 6.68 -46.25 1 7 -1 103 285.283 3 ↓
Lo Low (pH 4.5-6) 0.93 7.08 -20.4 2 7 0 105 286.291 3 ↓

Parameters Provided:

ring.id = 62641
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 = 62641 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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