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Analogs

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Popular Name: N-[(1R)-1,2-dimethylpropyl]-2-(morpholine-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin N-[(1R)-1,2-dimethylpropyl]-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) 1.74 5.47 -16.36 1 8 0 80 363.462 3 ↓

Analogs

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Popular Name: (2,2-diethylmorpholin-4-yl)-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone (2,2-diethylmorpholin-4-yl)-(5-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) 1.90 7.54 -48.25 1 6 1 52 321.445 3 ↓
Hi High (pH 8-9.5) 1.90 5.31 -9.95 0 6 0 51 320.437 3 ↓

Analogs

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Popular Name: morpholino(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanone morpholino(5,6,7,8-tetrahydro-4H…

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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) -0.16 2.36 -54.5 2 6 1 64 251.31 1 ↓
Hi High (pH 8-9.5) -0.16 1.09 -11.39 1 6 0 59 250.302 1 ↓

Parameters Provided:

ring.id = 397540
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 = 397540 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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