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Analogs

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Popular Name: (3S,5R,8aR)-3-phenyl-5-propyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5R,8aR)-3-phenyl-5-propyl-3,…

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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) 4.08 4.67 -2.53 0 2 0 12 245.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R,8aS)-3-phenyl-5-propyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5R,8aS)-3-phenyl-5-propyl-3,…

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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) 4.08 6.57 -2.76 0 2 0 12 245.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S,8aR)-3-phenyl-5-propyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5S,8aR)-3-phenyl-5-propyl-3,…

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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) 4.08 5.26 -2.71 0 2 0 12 245.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S,8aS)-3-phenyl-5-propyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5S,8aS)-3-phenyl-5-propyl-3,…

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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) 4.08 6.19 -2.81 0 2 0 12 245.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R,8aR)-5-phenethyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5R,8aR)-5-phenethyl-3-phenyl…

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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) 4.96 8.28 -3.8 0 2 0 12 307.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R,8aS)-5-phenethyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5R,8aS)-5-phenethyl-3-phenyl…

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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) 4.96 9.21 -4.1 0 2 0 12 307.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S,8aR)-5-phenethyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5S,8aR)-5-phenethyl-3-phenyl…

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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) 4.96 7.63 -3.55 0 2 0 12 307.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S,8aS)-5-phenethyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5S,8aS)-5-phenethyl-3-phenyl…

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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) 4.96 9.57 -4.21 0 2 0 12 307.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R,8aR)-5-butyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5R,8aR)-5-butyl-3-phenyl-3,5…

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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) 4.58 5.45 -2.51 0 2 0 12 259.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R,8aS)-5-butyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5R,8aS)-5-butyl-3-phenyl-3,5…

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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) 4.58 7.35 -2.69 0 2 0 12 259.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S,8aR)-5-butyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5S,8aR)-5-butyl-3-phenyl-3,5…

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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) 4.58 6.04 -2.65 0 2 0 12 259.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S,8aS)-5-butyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5S,8aS)-5-butyl-3-phenyl-3,5…

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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) 4.58 6.97 -2.76 0 2 0 12 259.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R,8aR)-5-allyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5R,8aR)-5-allyl-3-phenyl-3,5…

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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) 3.55 5.05 -2.87 0 2 0 12 243.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R,8aS)-5-allyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine (3S,5R,8aS)-5-allyl-3-phenyl-3,5…

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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) 3.55 5.98 -2.92 0 2 0 12 243.35 3 ↓

Parameters Provided:

ring.id = 581922
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 = 581922 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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