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

Analogs

41536589
41536589
41536236
41536236
41536242
41536242

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Popular Name: (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(3-pyridyl)-2H-pyrrol-5-one (2R)-3-(furan-2-carbonyl)-4-hydr…

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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) 1.34 7.56 -66.27 1 7 0 91 381.432 6 ↓
Lo Low (pH 4.5-6) 1.34 6.81 -44.58 2 7 1 88 382.44 6 ↓

Analogs

41536236
41536236
41536242
41536242
41536585
41536585

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(3-pyridyl)-2H-pyrrol-5-one (2S)-3-(furan-2-carbonyl)-4-hydr…

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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) 1.34 8.01 -72.09 1 7 0 91 381.432 6 ↓
Lo Low (pH 4.5-6) 1.34 7.27 -50.81 2 7 1 88 382.44 6 ↓

Analogs

41537211
41537211
41536910
41536910
41536914
41536914

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Popular Name: (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[2-(1-piperidyl)ethyl]-2-(3-pyridyl)-2H-pyrrol-5-one (2R)-4-hydroxy-3-(5-methylfuran-…

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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) 1.56 8.96 -70.3 1 7 0 91 395.459 6 ↓
Lo Low (pH 4.5-6) 1.56 8.21 -49.05 2 7 1 88 396.467 6 ↓

Analogs

41536910
41536910
41536914
41536914
41537207
41537207

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[2-(1-piperidyl)ethyl]-2-(3-pyridyl)-2H-pyrrol-5-one (2S)-4-hydroxy-3-(5-methylfuran-…

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) 1.56 8.41 -66.03 1 7 0 91 395.459 6 ↓
Lo Low (pH 4.5-6) 1.56 7.66 -43.94 2 7 1 88 396.467 6 ↓

Parameters Provided:

ring.id = 545701
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 = 545701 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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