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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: (4aR,7aR)-4-(azetidin-3-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aR,7aR)-4-(azetidin-3-yl)-3,4a…

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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) 0.70 0.6 -40.24 2 3 1 29 183.275 1 ↓
Hi High (pH 8-9.5) 0.70 -1.07 -2.53 1 3 0 24 182.267 1 ↓
Lo Low (pH 4.5-6) 0.70 1.2 -32.24 2 3 1 26 183.275 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-4-(azetidin-3-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aS,7aR)-4-(azetidin-3-yl)-3,4a…

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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) 0.70 1.08 -40.71 2 3 1 29 183.275 1 ↓
Hi High (pH 8-9.5) 0.70 -0.6 -2.28 1 3 0 24 182.267 1 ↓
Lo Low (pH 4.5-6) 0.70 1.38 -33.07 2 3 1 26 183.275 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aS)-4-(azetidin-3-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aR,7aS)-4-(azetidin-3-yl)-3,4a…

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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) 0.70 1.1 -40.15 2 3 1 29 183.275 1 ↓
Hi High (pH 8-9.5) 0.70 -0.57 -1.98 1 3 0 24 182.267 1 ↓
Lo Low (pH 4.5-6) 0.70 1.3 -30.99 2 3 1 26 183.275 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aS)-4-(azetidin-3-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aS,7aS)-4-(azetidin-3-yl)-3,4a…

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) 0.70 0.78 -40.74 2 3 1 29 183.275 1 ↓
Hi High (pH 8-9.5) 0.70 -0.89 -2.66 1 3 0 24 182.267 1 ↓
Lo Low (pH 4.5-6) 0.70 1.31 -32.26 2 3 1 26 183.275 1 ↓

Parameters Provided:

ring.id = 371016
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 = 371016 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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