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

19883908
19883908

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Popular Name: (5S)-5-(4-ethylphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2-one (5S)-5-(4-ethylphenyl)-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) 2.70 7.47 -60.8 0 7 -1 86 423.489 8 ↓
Mid Mid (pH 6-8) 2.70 9.8 -76.81 1 7 0 87 424.497 8 ↓
Lo Low (pH 4.5-6) 2.70 8.99 -51.94 2 7 1 84 425.505 8 ↓

Analogs

19883908
19883908

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Popular Name: (5R)-5-(4-ethylphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2-one (5R)-5-(4-ethylphenyl)-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) 2.70 7.07 -61.31 0 7 -1 86 423.489 8 ↓
Mid Mid (pH 6-8) 2.70 9.4 -73.27 1 7 0 87 424.497 8 ↓
Lo Low (pH 4.5-6) 2.70 8.58 -47.87 2 7 1 84 425.505 8 ↓

Analogs

40068076
40068076

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Popular Name: (5S)-5-(2-fluorophenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2-one (5S)-5-(2-fluorophenyl)-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) 1.90 5.87 -58.68 0 7 -1 86 413.425 7 ↓
Mid Mid (pH 6-8) 1.90 8.15 -74.59 1 7 0 87 414.433 7 ↓
Lo Low (pH 4.5-6) 1.90 7.25 -45.89 2 7 1 84 415.441 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(2-fluorophenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2-one (5R)-5-(2-fluorophenyl)-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) 1.90 6.15 -59.8 0 7 -1 86 413.425 7 ↓
Mid Mid (pH 6-8) 1.90 8.42 -75.05 1 7 0 87 414.433 7 ↓
Lo Low (pH 4.5-6) 1.90 7.66 -49.63 2 7 1 84 415.441 7 ↓

Analogs

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Popular Name: (5S)-5-(3-ethoxyphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-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) 2.19 5.86 -60.22 0 8 -1 95 439.488 9 ↓
Mid Mid (pH 6-8) 2.19 8.19 -74.39 1 8 0 96 440.496 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(3-ethoxyphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-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) 2.19 6.32 -59.98 0 8 -1 95 439.488 9 ↓
Mid Mid (pH 6-8) 2.19 8.66 -76.9 1 8 0 96 440.496 9 ↓

Analogs

19883329
19883329

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Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2-one (5S)-5-(3,4-dimethoxyphenyl)-4-(…

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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) 1.43 5.68 -65.01 0 9 -1 105 455.487 9 ↓
Mid Mid (pH 6-8) 1.87 7.3 -60.78 2 9 1 103 457.503 8 ↓
Mid Mid (pH 6-8) 1.43 8.01 -84.81 1 9 0 106 456.495 9 ↓

Analogs

19884850
19884850
6382856
6382856
6382859
6382859
6382860
6382860

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Popular Name: (5S)-4-(furan-2-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(3-nitrophenyl)-5H-pyrrol-2-one (5S)-4-(furan-2-carbonyl)-3-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) 1.72 6.29 -54.68 0 10 -1 132 440.432 8 ↓
Mid Mid (pH 6-8) 2.16 7.54 -65.79 2 10 1 130 442.448 7 ↓
Mid Mid (pH 6-8) 1.72 8.62 -73.57 1 10 0 133 441.44 8 ↓

Parameters Provided:

ring.id = 26201
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 = 26201 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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