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Analogs

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Popular Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[4-(2-methoxyphenyl)piperaz…

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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) 1.86 -3.98 -13.09 1 8 0 82 400.479 5 ↓

Analogs

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Popular Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]carbonylethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[4-(4-fluorophenyl)piperazi…

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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) 2.02 6.02 -13.11 1 7 0 73 388.443 4 ↓

Analogs

26032044
26032044

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Popular Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonylethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[4-(3-chlorophenyl)piperazi…

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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) 2.51 6.47 -12.03 1 7 0 73 404.898 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[4-(3-methoxyphenyl)piperaz…

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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) 1.89 5.25 -13.39 1 8 0 82 400.479 5 ↓

Parameters Provided:

ring.id = 4978
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrcn = adwords
iocnl1 = google_adsense
iosrct = adnet
iocnl3 = legacy

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 = 4978 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=4978&filter.purchasability=annotated

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