UCSF
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Analogs

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Popular Name: 7-[(4-methyl-4-piperidyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine 7-[(4-methyl-4-piperidyl)methyl]…

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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) 0.22 5.1 -81.93 3 4 2 39 236.363 2 ↓
Hi High (pH 8-9.5) 0.22 4.64 -42.98 2 4 1 38 235.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(4-ethyl-4-piperidyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine 7-[(4-ethyl-4-piperidyl)methyl]-…

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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) 0.55 5.62 -82.38 3 4 2 39 250.39 3 ↓
Hi High (pH 8-9.5) 0.55 5.15 -43.4 2 4 1 38 249.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(4-propyl-4-piperidyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine 7-[(4-propyl-4-piperidyl)methyl]…

Find On: PubMed — Wikipedia — Google

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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) 1.11 6.32 -81.87 3 4 2 39 264.417 4 ↓
Hi High (pH 8-9.5) 1.11 5.85 -49.81 2 4 1 38 263.409 4 ↓

Parameters Provided:

ring.id = 287940
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 = 287940 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=287940&filter.purchasability=annotated

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