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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35894971
35894971
35894973
35894973
35894975
35894975
35871164
35871164
35871165
35871165

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-N-[2-(1-piperidyl)ethyl]-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quin (4aS,5S)-N-[2-(1-piperidyl)ethyl…

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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) 3.15 8.65 -46.45 2 5 1 46 412.476 5 ↓

Analogs

35894973
35894973
35894975
35894975
35894969
35894969
35871164
35871164
35871165
35871165

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-N-[2-(1-piperidyl)ethyl]-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quin (4aS,5R)-N-[2-(1-piperidyl)ethyl…

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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) 3.15 8.85 -43.99 2 5 1 46 412.476 5 ↓

Analogs

35894975
35894975
35894969
35894969
35894971
35894971
35871164
35871164
35871165
35871165

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-N-[2-(1-piperidyl)ethyl]-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quin (4aR,5S)-N-[2-(1-piperidyl)ethyl…

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) 3.15 8.85 -44.07 2 5 1 46 412.476 5 ↓

Analogs

35894969
35894969
35894971
35894971
35894973
35894973
35871164
35871164
35871165
35871165

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5R)-N-[2-(1-piperidyl)ethyl]-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quin (4aR,5R)-N-[2-(1-piperidyl)ethyl…

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) 3.15 8.64 -46.57 2 5 1 46 412.476 5 ↓

Parameters Provided:

ring.id = 42387
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 = 42387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=42387&filter.purchasability=annotated

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