UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3S)-3-ethyl-3-piperidyl]metha [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 1.18 4.44 -45.18 2 4 1 46 267.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3R)-3-ethyl-3-piperidyl]metha [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 1.18 4.44 -44.8 2 4 1 46 267.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3S)-3-ethyl-3-piperidyl]metha [(4aS,7aR)-3,4a,5,6,7,7a-hexahyd…

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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) 1.18 4.6 -45.75 2 4 1 46 267.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3R)-3-ethyl-3-piperidyl]metha [(4aS,7aR)-3,4a,5,6,7,7a-hexahyd…

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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) 1.18 4.6 -45.06 2 4 1 46 267.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3S)-3-methyl-3-piperidyl]meth [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 0.84 4.08 -35.79 2 4 1 46 253.366 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3R)-3-methyl-3-piperidyl]meth [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 0.84 4.08 -35.24 2 4 1 46 253.366 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3S)-3-methyl-3-piperidyl]meth [(4aS,7aR)-3,4a,5,6,7,7a-hexahyd…

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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) 0.84 4.14 -43.89 2 4 1 46 253.366 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3R)-3-methyl-3-piperidyl]meth [(4aS,7aR)-3,4a,5,6,7,7a-hexahyd…

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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) 0.84 4.34 -34.98 2 4 1 46 253.366 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3S)-3-propyl-3-piperidyl]meth [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 1.74 5.2 -45.42 2 4 1 46 281.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3R)-3-propyl-3-piperidyl]meth [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 1.74 5.2 -45 2 4 1 46 281.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3S)-3-propyl-3-piperidyl]meth [(4aS,7aR)-3,4a,5,6,7,7a-hexahyd…

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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) 1.74 5.37 -46 2 4 1 46 281.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(3R)-3-propyl-3-piperidyl]meth [(4aS,7aR)-3,4a,5,6,7,7a-hexahyd…

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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) 1.74 5.36 -45.27 2 4 1 46 281.42 3 ↓

Parameters Provided:

ring.id = 292962
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 = 292962 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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