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

Analogs

41536253
41536253
41536593
41536593
41536597
41536597
19928026
19928026

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Popular Name: (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 0.78 7.46 -69.12 1 7 0 91 367.405 6 ↓
Lo Low (pH 4.5-6) 0.78 6.7 -49.8 2 7 1 88 368.413 6 ↓
Lo Low (pH 4.5-6) 0.78 7.91 -100.53 2 7 1 92 368.413 6 ↓

Analogs

41536593
41536593
41536597
41536597
40068342
40068342
40068343
40068343
40115999
40115999

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Popular Name: (2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 0.78 7.02 -65.47 1 7 0 91 367.405 6 ↓
Lo Low (pH 4.5-6) 0.78 6.27 -45.4 2 7 1 88 368.413 6 ↓
Lo Low (pH 4.5-6) 0.78 7.48 -105.19 2 7 1 92 368.413 6 ↓

Analogs

41536923
41536923
41537215
41537215
41537219
41537219
40075574
40075574
40075575
40075575

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Popular Name: (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 1.00 8.27 -68.85 1 7 0 91 381.432 6 ↓
Lo Low (pH 4.5-6) 1.00 7.53 -48.88 2 7 1 88 382.44 6 ↓
Lo Low (pH 4.5-6) 1.00 8.73 -100.03 2 7 1 92 382.44 6 ↓

Analogs

41537215
41537215
41537219
41537219
40075574
40075574
40075575
40075575
40075734
40075734

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-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) 1.00 7.84 -65.27 1 7 0 91 381.432 6 ↓
Lo Low (pH 4.5-6) 1.00 7.08 -44.63 2 7 1 88 382.44 6 ↓
Lo Low (pH 4.5-6) 1.00 8.29 -104.89 2 7 1 92 382.44 6 ↓

Parameters Provided:

ring.id = 545660
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 = 545660 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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