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Popular Name: N-[[(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine N-[[(2S)-3,4-dihydro-2H-1,4-benz…

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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) 1.24 4.68 -31.74 2 5 1 44 273.36 4 ↓
Hi High (pH 8-9.5) 1.24 4.03 -13.3 1 5 0 42 272.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine N-[[(2R)-3,4-dihydro-2H-1,4-benz…

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) 1.24 4.59 -32.05 2 5 1 44 273.36 4 ↓
Hi High (pH 8-9.5) 1.24 4.36 -10.23 1 5 0 42 272.352 4 ↓

Parameters Provided:

ring.id = 99220
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 = 99220 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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