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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: 1-[2-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethoxy]phenyl]-N-methyl- 1-[2-[2-[(4aS,7aS)-3,4a,5,6,7,7a…

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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) 2.26 4.93 -37.27 2 4 1 38 291.415 6 ↓
Hi High (pH 8-9.5) 2.26 3.47 -4.9 1 4 0 34 290.407 6 ↓
Mid Mid (pH 6-8) 2.26 7.25 -98.71 3 4 2 40 292.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethoxy]phenyl]-N-methyl- 1-[2-[2-[(4aS,7aR)-3,4a,5,6,7,7a…

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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) 2.26 5.14 -36.39 2 4 1 38 291.415 6 ↓
Hi High (pH 8-9.5) 2.26 3.67 -4.62 1 4 0 34 290.407 6 ↓
Mid Mid (pH 6-8) 2.26 7.23 -100.33 3 4 2 40 292.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethoxy]phenyl]-N-methyl- 1-[3-[2-[(4aS,7aS)-3,4a,5,6,7,7a…

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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) 2.29 4.88 -40.21 2 4 1 38 291.415 6 ↓
Hi High (pH 8-9.5) 2.29 3.43 -5.26 1 4 0 34 290.407 6 ↓
Mid Mid (pH 6-8) 2.29 7.18 -85.85 3 4 2 40 292.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethoxy]phenyl]-N-methyl- 1-[3-[2-[(4aS,7aR)-3,4a,5,6,7,7a…

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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) 2.29 5.08 -39.89 2 4 1 38 291.415 6 ↓
Hi High (pH 8-9.5) 2.29 3.64 -5.04 1 4 0 34 290.407 6 ↓
Mid Mid (pH 6-8) 2.29 7.17 -86.91 3 4 2 40 292.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethoxy]phenyl]-N-methyl- 1-[4-[2-[(4aS,7aS)-3,4a,5,6,7,7a…

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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) 2.31 4.88 -41.92 2 4 1 38 291.415 6 ↓
Mid Mid (pH 6-8) 2.31 7.17 -84.63 3 4 2 40 292.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethoxy]phenyl]-N-methyl- 1-[4-[2-[(4aS,7aR)-3,4a,5,6,7,7a…

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) 2.31 5.08 -41.75 2 4 1 38 291.415 6 ↓
Mid Mid (pH 6-8) 2.31 7.17 -85.02 3 4 2 40 292.423 6 ↓

Parameters Provided:

ring.id = 253456
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 = 253456 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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