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Analogs

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Popular Name: 1-[(3S)-1-methylpyrrolidin-3-yl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(3S)-1-methylpyrrolidin-3-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) 1.56 6.98 -100.27 3 3 2 24 233.359 1 ↓
Mid Mid (pH 6-8) 1.56 4.36 -38 2 3 1 23 232.351 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1-methylpyrrolidin-3-yl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(3R)-1-methylpyrrolidin-3-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) 1.56 6.83 -96.28 3 3 2 24 233.359 1 ↓
Mid Mid (pH 6-8) 1.56 4.01 -40.16 2 3 1 23 232.351 1 ↓

Analogs

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Popular Name: 1-[(3S)-1-isopropylpyrrolidin-3-yl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(3S)-1-isopropylpyrrolidin-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) 2.23 8.3 -97.74 3 3 2 24 261.413 2 ↓
Mid Mid (pH 6-8) 2.23 5.84 -40.39 2 3 1 23 260.405 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1-isopropylpyrrolidin-3-yl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(3R)-1-isopropylpyrrolidin-3-…

Find On: PubMed — Wikipedia — Google

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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) 2.23 8.14 -92.97 3 3 2 24 261.413 2 ↓
Mid Mid (pH 6-8) 2.23 5.8 -39.8 2 3 1 23 260.405 2 ↓

Parameters Provided:

ring.id = 280430
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 = 280430 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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