UCSF
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Popular Name: (1S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-naphthyl)ethanamine (1S)-N-[(3,5-dimethyl-1H-pyrazol…

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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 8.54 -46.41 3 3 1 45 280.395 4 ↓
Hi High (pH 8-9.5) 3.37 7.55 -7.63 2 3 0 41 279.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-naphthyl)ethanamine (1R)-N-[(3,5-dimethyl-1H-pyrazol…

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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 8.56 -46.09 3 3 1 45 280.395 4 ↓
Hi High (pH 8-9.5) 3.37 7.45 -6.86 2 3 0 41 279.387 4 ↓

Parameters Provided:

ring.id = 113928
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 = 113928 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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