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Analogs

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Popular Name: 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(5-methyl-1H-pyrazol-4-yl)sul…

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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 0.93 -13.02 2 6 0 78 292.364 2 ↓
Mid Mid (pH 6-8) 0.85 2.21 -50.71 3 6 1 83 293.372 2 ↓

Analogs

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Popular Name: 1-(1-methylpyrazol-4-yl)sulfonyl-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(1-methylpyrazol-4-yl)sulfonyl…

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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) 0.70 1.64 -13.55 1 6 0 67 292.364 2 ↓
Mid Mid (pH 6-8) 0.70 2.88 -51.79 2 6 1 72 293.372 2 ↓

Analogs

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Popular Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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) 1.07 1.58 -11.92 2 6 0 78 306.391 2 ↓
Mid Mid (pH 6-8) 1.07 2.83 -51.27 3 6 1 83 307.399 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1H-pyrazol-4-ylsulfonyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(1H-pyrazol-4-ylsulfonyl)-2,3,…

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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) 0.63 0.46 -10.8 2 6 0 78 278.337 2 ↓
Mid Mid (pH 6-8) 0.63 1.75 -51.78 3 6 1 83 279.345 2 ↓

Parameters Provided:

ring.id = 280630
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 = 280630 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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