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

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-azetidin-2-one (4S)-1-[[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) 2.99 8.99 -10.03 0 5 0 36 351.45 5 ↓
Lo Low (pH 4.5-6) 2.99 11.36 -39.41 1 5 1 37 352.458 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-azetidin-2-one (4R)-1-[[4-(2-methoxyphenyl)pipe…

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) 2.99 9.03 -9.59 0 5 0 36 351.45 5 ↓
Lo Low (pH 4.5-6) 2.99 11.55 -40.73 1 5 1 37 352.458 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[[4-(m-tolyl)piperazin-1-yl]methyl]-4-phenyl-azetidin-2-one (4S)-1-[[4-(m-tolyl)piperazin-1-…

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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) 3.41 9.83 -9.77 0 4 0 27 335.451 4 ↓
Lo Low (pH 4.5-6) 3.41 12.24 -43.35 1 4 1 28 336.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[[4-(m-tolyl)piperazin-1-yl]methyl]-4-phenyl-azetidin-2-one (4R)-1-[[4-(m-tolyl)piperazin-1-…

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) 3.41 9.91 -9.18 0 4 0 27 335.451 4 ↓
Lo Low (pH 4.5-6) 3.41 12.23 -43.32 1 4 1 28 336.459 4 ↓

Parameters Provided:

ring.id = 123263
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 = 123263 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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