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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: 5-[3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxo-propyl]-4,6-dimethyl-2-ox 5-[3-[(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) 2.09 6.3 -20.23 1 6 0 86 343.427 3 ↓
Hi High (pH 8-9.5) 2.55 4.43 -48.57 0 6 -1 89 342.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxo-propyl]-4,6-dimethyl-2-ox 5-[3-[(4aS,8aR)-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) 2.09 6.54 -20.57 1 6 0 86 343.427 3 ↓
Hi High (pH 8-9.5) 2.55 4.67 -48.98 0 6 -1 89 342.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxo-propyl]-4,6-dimethyl-2-ox 5-[3-[(4aR,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) 2.09 6.58 -20.7 1 6 0 86 343.427 3 ↓
Hi High (pH 8-9.5) 2.55 4.71 -48.98 0 6 -1 89 342.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxo-propyl]-4,6-dimethyl-2-ox 5-[3-[(4aR,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) 2.09 6.32 -20.19 1 6 0 86 343.427 3 ↓
Hi High (pH 8-9.5) 2.55 4.44 -48.59 0 6 -1 89 342.419 3 ↓

Parameters Provided:

ring.id = 513283
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 = 513283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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