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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]-2-(2-thienyl)ethanamine N-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8…

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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) 2.71 6.04 -46.52 2 3 1 29 295.472 6 ↓
Hi High (pH 8-9.5) 2.71 4.69 -3.45 1 3 0 24 294.464 6 ↓
Lo Low (pH 4.5-6) 2.71 8.24 -125.34 3 3 2 30 296.48 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]-2-(2-thienyl)ethanamine N-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8…

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) 2.71 5.96 -46.08 2 3 1 29 295.472 6 ↓
Hi High (pH 8-9.5) 2.71 4.62 -3.22 1 3 0 24 294.464 6 ↓
Lo Low (pH 4.5-6) 2.71 8.15 -126.74 3 3 2 30 296.48 6 ↓

Parameters Provided:

ring.id = 61816
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 = 61816 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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