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Analogs

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Popular Name: 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-isopropyl-acetamide 2-(3-benzhydryl-1,4,6,7-tetrahyd…

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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) 4.01 10.88 -49.64 3 5 1 62 389.523 6 ↓
Mid Mid (pH 6-8) 4.01 8.73 -13.59 2 5 0 61 388.515 6 ↓

Analogs

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Popular Name: 3-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol 3-(3-benzhydryl-1,4,6,7-tetrahyd…

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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) 3.37 8.92 -46.49 3 4 1 53 348.47 6 ↓
Hi High (pH 8-9.5) 3.37 6.71 -9.16 2 4 0 52 347.462 6 ↓

Analogs

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Popular Name: (2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one (2R)-2-amino-1-(3-benzhydryl-1,4…

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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) 2.26 7.8 -50.45 4 5 1 77 361.469 4 ↓
Hi High (pH 8-9.5) 2.26 7.47 -12.16 3 5 0 75 360.461 4 ↓

Analogs

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Popular Name: 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanol 2-(3-benzhydryl-1,4,6,7-tetrahyd…

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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) 3.10 8.32 -41.99 3 4 1 53 334.443 5 ↓
Hi High (pH 8-9.5) 3.10 6.13 -9.28 2 4 0 52 333.435 5 ↓

Parameters Provided:

ring.id = 521274
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 = 521274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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