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

Analogs

41536597
41536597
40068342
40068342
40068343
40068343
40115999
40115999
40116001
40116001

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Popular Name: (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(4-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) 1.28 8.16 -68.22 1 7 0 91 381.432 6 ↓
Lo Low (pH 4.5-6) 1.28 7.41 -49.83 2 7 1 88 382.44 6 ↓
Lo Low (pH 4.5-6) 1.28 8.62 -100.49 2 7 1 92 382.44 6 ↓

Analogs

40068342
40068342
40068343
40068343
19928026
19928026

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Popular Name: (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(4-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) 1.28 7.73 -64.66 1 7 0 91 381.432 6 ↓
Lo Low (pH 4.5-6) 1.28 6.97 -45.67 2 7 1 88 382.44 6 ↓
Lo Low (pH 4.5-6) 1.28 8.18 -105.35 2 7 1 92 382.44 6 ↓

Analogs

41537219
41537219
40046883
40046883
40046885
40046885
40075574
40075574
40075575
40075575

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Popular Name: (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[2-(1-piperidyl)ethyl]-2-(4-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) 1.51 8.97 -67.95 1 7 0 91 395.459 6 ↓
Lo Low (pH 4.5-6) 1.51 8.23 -48.94 2 7 1 88 396.467 6 ↓
Lo Low (pH 4.5-6) 1.51 9.43 -99.95 2 7 1 92 396.467 6 ↓

Analogs

40075574
40075574
40075575
40075575
40075734
40075734
40075735
40075735
40116632
40116632

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[2-(1-piperidyl)ethyl]-2-(4-pyridyl)-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) 1.51 8.54 -64.5 1 7 0 91 395.459 6 ↓
Lo Low (pH 4.5-6) 1.51 7.79 -44.88 2 7 1 88 396.467 6 ↓
Lo Low (pH 4.5-6) 1.51 9 -104.95 2 7 1 92 396.467 6 ↓

Parameters Provided:

ring.id = 545703
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 = 545703 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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