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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperidyl]-(1-methyl-4-piperidyl)methanone [(3S)-3-[4-(2-methoxyphenyl)pipe…

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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) 2.48 9.2 -44.96 1 6 1 40 401.575 4 ↓
Hi High (pH 8-9.5) 2.48 6.82 -11.08 0 6 0 39 400.567 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperidyl]-(1-methyl-4-piperidyl)methanone [(3R)-3-[4-(2-methoxyphenyl)pipe…

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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) 2.48 9.02 -44.59 1 6 1 40 401.575 4 ↓
Hi High (pH 8-9.5) 2.48 6.63 -9.93 0 6 0 39 400.567 4 ↓

Analogs

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Popular Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidyl]-(1-isopropyl-4-piperidyl)methanone [(3S)-3-[4-(4-fluorophenyl)piper…

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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) 3.31 10.49 -42.83 1 5 1 31 417.593 4 ↓
Hi High (pH 8-9.5) 3.31 8.28 -9.88 0 5 0 30 416.585 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidyl]-(1-isopropyl-4-piperidyl)methanone [(3R)-3-[4-(4-fluorophenyl)piper…

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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) 3.31 10.47 -43.07 1 5 1 31 417.593 4 ↓
Hi High (pH 8-9.5) 3.31 8.27 -9.78 0 5 0 30 416.585 4 ↓

Analogs

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Popular Name: (1-ethyl-4-piperidyl)-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidyl]methanone (1-ethyl-4-piperidyl)-[(3S)-3-[4…

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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) 3.02 9.96 -44.41 1 5 1 31 403.566 4 ↓
Hi High (pH 8-9.5) 3.02 7.73 -10.01 0 5 0 30 402.558 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-ethyl-4-piperidyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidyl]methanone (1-ethyl-4-piperidyl)-[(3R)-3-[4…

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) 3.02 9.95 -44.25 1 5 1 31 403.566 4 ↓
Hi High (pH 8-9.5) 3.02 7.7 -9.85 0 5 0 30 402.558 4 ↓

Parameters Provided:

ring.id = 387012
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 = 387012 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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