UCSF
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Analogs

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Popular Name: N-[[(4S)-1,3-dioxan-4-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine N-[[(4S)-1,3-dioxan-4-yl]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) 2.66 6.41 -6 0 3 0 22 289.297 5 ↓
Mid Mid (pH 6-8) 2.66 7.71 -36.3 1 3 1 23 290.305 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(4R)-1,3-dioxan-4-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine N-[[(4R)-1,3-dioxan-4-yl]methyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.66 6.61 -4.89 0 3 0 22 289.297 5 ↓
Mid Mid (pH 6-8) 2.66 7.72 -38.31 1 3 1 23 290.305 5 ↓

Parameters Provided:

ring.id = 453661
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 = 453661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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