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Analogs

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Popular Name: 3-methyl-1-[2-(4-pyridyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one 3-methyl-1-[2-(4-pyridyl)-4,6,7,…

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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) 1.92 7.58 -15.01 0 5 0 51 298.39 3 ↓
Lo Low (pH 4.5-6) 1.92 8.04 -44.72 1 5 1 52 299.398 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-pyridyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one 1-[2-(4-pyridyl)-4,6,7,8-tetrahy…

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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) 1.15 6.21 -15.82 0 5 0 51 270.336 2 ↓
Lo Low (pH 4.5-6) 1.15 6.67 -45.25 1 5 1 52 271.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-pyridyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one 1-[2-(4-pyridyl)-4,6,7,8-tetrahy…

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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) 1.70 6.98 -15.59 0 5 0 51 284.363 3 ↓
Lo Low (pH 4.5-6) 1.70 7.44 -45.27 1 5 1 52 285.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-isobutyl-2-(4-pyridyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine 5-isobutyl-2-(4-pyridyl)-4,6,7,8…

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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) 2.07 8.36 -45.89 1 4 1 35 271.388 3 ↓
Hi High (pH 8-9.5) 2.07 6.66 -8.13 0 4 0 34 270.38 3 ↓
Lo Low (pH 4.5-6) 2.07 8.83 -85.1 2 4 2 36 272.396 3 ↓

Parameters Provided:

ring.id = 368095
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 = 368095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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