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Popular Name: (1R)-N-methyl-1-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanamine (1R)-N-methyl-1-(1-methylpyrazol…

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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) 2.73 7.55 -40.14 2 3 1 34 262.402 3 ↓
Mid Mid (pH 6-8) 2.73 6.26 -6.91 1 3 0 30 261.394 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanamine (1S)-N-methyl-1-(1-methylpyrazol…

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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) 2.73 7.45 -39.9 2 3 1 34 262.402 3 ↓
Mid Mid (pH 6-8) 2.73 6.24 -7.17 1 3 0 30 261.394 3 ↓

Parameters Provided:

ring.id = 18009
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 = 18009 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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