UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40067981
40067981
40067984
40067984

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Popular Name: 5-[3-(allyloxy)phenyl]-4-(2-furoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one 5-[3-(allyloxy)phenyl]-4-(2-furo…

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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) 2.19 5.67 -59.52 0 8 -1 95 437.472 9 ↓
Mid Mid (pH 6-8) 2.19 8.02 -69.59 1 8 0 96 438.48 9 ↓
Lo Low (pH 4.5-6) 2.19 7.2 -49.36 2 8 1 94 439.488 9 ↓

Analogs

40067981
40067981
40067984
40067984

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-(allyloxy)phenyl]-4-(2-furoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one 5-[3-(allyloxy)phenyl]-4-(2-furo…

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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) 2.19 5.94 -59.28 0 8 -1 95 437.472 9 ↓
Mid Mid (pH 6-8) 2.19 8.2 -70.69 1 8 0 96 438.48 9 ↓
Lo Low (pH 4.5-6) 2.19 7.48 -50.17 2 8 1 94 439.488 9 ↓

Analogs

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Popular Name: (5S)-5-(3-ethoxyphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5S)-5-(3-ethoxyphenyl)-4-(furan…

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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) 1.92 5.51 -59.41 0 8 -1 95 425.461 8 ↓
Mid Mid (pH 6-8) 1.92 7.85 -72.22 1 8 0 96 426.469 8 ↓

Analogs

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Popular Name: (5R)-5-(3-ethoxyphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5R)-5-(3-ethoxyphenyl)-4-(furan…

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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) 1.92 5.08 -59.63 0 8 -1 95 425.461 8 ↓
Mid Mid (pH 6-8) 1.92 7.42 -69.67 1 8 0 96 426.469 8 ↓

Analogs

40075502
40075502
40075503
40075503
9042848
9042848

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Popular Name: (5S)-5-(3-ethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5S)-5-(3-ethoxyphenyl)-3-hydrox…

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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) 2.14 6.23 -59.75 0 8 -1 95 439.488 8 ↓
Mid Mid (pH 6-8) 2.14 8.57 -72.37 1 8 0 96 440.496 8 ↓

Analogs

40075502
40075502
40075503
40075503
9042848
9042848

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(3-ethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5R)-5-(3-ethoxyphenyl)-3-hydrox…

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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) 2.14 5.87 -60.08 0 8 -1 95 439.488 8 ↓
Mid Mid (pH 6-8) 2.14 8.21 -69.62 1 8 0 96 440.496 8 ↓

Parameters Provided:

ring.id = 59600
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 = 59600 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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