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

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Popular Name: (5S)-4-acetyl-3-hydroxy-5-(4-isopropylphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5S)-4-acetyl-3-hydroxy-5-(4-iso…

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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) 2.16 6.6 -57.87 0 6 -1 73 371.457 6 ↓
Mid Mid (pH 6-8) 2.16 8.95 -69.52 1 6 0 74 372.465 6 ↓
Mid Mid (pH 6-8) 2.16 5.6 -14.9 1 6 0 70 372.465 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-4-acetyl-3-hydroxy-5-(4-isopropylphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5R)-4-acetyl-3-hydroxy-5-(4-iso…

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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) 2.16 6.57 -58.68 0 6 -1 73 371.457 6 ↓
Mid Mid (pH 6-8) 2.16 8.91 -71.78 1 6 0 74 372.465 6 ↓
Mid Mid (pH 6-8) 2.16 5.58 -15.04 1 6 0 70 372.465 6 ↓

Analogs

4170670
4170670
19904300
19904300
19904302
19904302

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Popular Name: 4-acetyl-5-(4-ethoxyphenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one 4-acetyl-5-(4-ethoxyphenyl)-3-hy…

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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) 1.08 -0.74 -53.46 2 7 1 80 375.445 7 ↓
Mid Mid (pH 6-8) 0.50 -0.97 -67.78 1 7 1 77 375.445 7 ↓

Analogs

19904300
19904300
19904302
19904302
4170667
4170667

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-5-(4-ethoxyphenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one 4-acetyl-5-(4-ethoxyphenyl)-3-hy…

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) 1.08 -0.57 -54.23 2 7 1 80 375.445 7 ↓
Mid Mid (pH 6-8) 0.50 -0.76 -67.61 1 7 1 77 375.445 7 ↓

Parameters Provided:

ring.id = 50870
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 = 50870 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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