UCSF
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Analogs

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Popular Name: N-[[2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]cyclopropanamine N-[[2-methyl-5-[(1-oxo-1,4-thiaz…

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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) -0.07 5.85 -109.6 3 4 2 51 284.425 5 ↓
Hi High (pH 8-9.5) -0.07 3.71 -49.36 2 4 1 50 283.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]cyclopropanamine N-[[5-[(1-oxo-1,4-thiazinan-4-yl…

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) -0.29 5.16 -105.7 3 4 2 51 270.398 5 ↓
Hi High (pH 8-9.5) -0.29 3.03 -46.08 2 4 1 50 269.39 5 ↓

Parameters Provided:

ring.id = 249503
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 = 249503 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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