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Analogs

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Popular Name: 1-Methyl-3-{[(4-methylbenzyl)oxy]methyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride 1-Methyl-3-{[(4-methylbenzyl)oxy…

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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) 2.39 6.56 -49.46 2 4 1 44 272.372 4 ↓
Hi High (pH 8-9.5) 2.39 5.2 -9.46 1 4 0 39 271.364 4 ↓

Analogs

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Popular Name: 3-{[(2-Fluorobenzyl)oxy]methyl}-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride 3-{[(2-Fluorobenzyl)oxy]methyl}-…

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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) 2.06 6.13 -48.95 2 4 1 44 276.335 4 ↓
Hi High (pH 8-9.5) 2.06 4.77 -9.47 1 4 0 39 275.327 4 ↓

Analogs

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Popular Name: 3-{[(3-Fluorobenzyl)oxy]methyl}-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride 3-{[(3-Fluorobenzyl)oxy]methyl}-…

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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) 2.08 5.97 -53.27 2 4 1 44 276.335 4 ↓
Hi High (pH 8-9.5) 2.08 4.61 -11.13 1 4 0 39 275.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Methyl-3-{[(2-methylbenzyl)oxy]methyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride 1-Methyl-3-{[(2-methylbenzyl)oxy…

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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) 2.34 6.64 -48.38 2 4 1 44 272.372 4 ↓
Hi High (pH 8-9.5) 2.34 5.28 -9.27 1 4 0 39 271.364 4 ↓

Parameters Provided:

ring.id = 286875
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 = 286875 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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