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Analogs

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Popular Name: 5-[(1S)-3-(1H-indol-3-yl)-1-methyl-propyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxy 5-[(1S)-3-(1H-indol-3-yl)-1-meth…

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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) 3.17 10.63 -83.6 2 6 0 78 352.438 5 ↓
Hi High (pH 8-9.5) 3.17 8.86 -66.72 1 6 -1 77 351.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-3-(1H-indol-3-yl)-1-methyl-propyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxy 5-[(1R)-3-(1H-indol-3-yl)-1-meth…

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) 3.17 10.73 -80.64 2 6 0 78 352.438 5 ↓
Hi High (pH 8-9.5) 3.17 9.15 -60.83 1 6 -1 77 351.43 5 ↓

Parameters Provided:

ring.id = 539337
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 = 539337 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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