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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aS,7aR)-3-phenyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine (3R,4aS,7aR)-3-phenyl-2,3,4,4a,5…

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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) 2.41 5.87 -34.72 2 2 1 26 204.293 1 ↓
Hi High (pH 8-9.5) 2.41 4.88 -2.16 1 2 0 21 203.285 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4aS,7aR)-3-phenyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine (3S,4aS,7aR)-3-phenyl-2,3,4,4a,5…

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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) 2.41 5.72 -36.92 2 2 1 26 204.293 1 ↓
Hi High (pH 8-9.5) 2.41 4.55 -3.02 1 2 0 21 203.285 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aS,7aS)-3-phenyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine (3R,4aS,7aS)-3-phenyl-2,3,4,4a,5…

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) 2.41 5.59 -35.46 2 2 1 26 204.293 1 ↓
Hi High (pH 8-9.5) 2.41 4.53 -2.63 1 2 0 21 203.285 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4aS,7aS)-3-phenyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine (3S,4aS,7aS)-3-phenyl-2,3,4,4a,5…

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) 2.41 5.27 -39.25 2 2 1 26 204.293 1 ↓
Hi High (pH 8-9.5) 2.41 4.06 -3.11 1 2 0 21 203.285 1 ↓

Parameters Provided:

ring.id = 331415
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 = 331415 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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