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

Analogs

41533430
41533430

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Popular Name: (2S)-3-acetyl-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-acetyl-2-(2-furyl)-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) 0.47 6.79 -70.25 1 6 0 78 304.346 5 ↓
Lo Low (pH 4.5-6) 0.47 5.83 -48.82 2 6 1 75 305.354 5 ↓

Analogs

41533426
41533426

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Popular Name: (2R)-3-acetyl-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-acetyl-2-(2-furyl)-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) 0.47 6.7 -67.89 1 6 0 78 304.346 5 ↓
Lo Low (pH 4.5-6) 0.47 5.68 -45.74 2 6 1 75 305.354 5 ↓

Analogs

41533439
41533439

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Popular Name: (2S)-3-acetyl-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-2-(5-met…

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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) 0.69 7.45 -67.51 1 6 0 78 318.373 5 ↓
Lo Low (pH 4.5-6) 0.69 6.5 -45.37 2 6 1 75 319.381 5 ↓

Analogs

41533434
41533434

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Popular Name: (2R)-3-acetyl-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-2-(5-met…

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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) 0.69 7.54 -69.8 1 6 0 78 318.373 5 ↓
Lo Low (pH 4.5-6) 0.69 6.65 -48.65 2 6 1 75 319.381 5 ↓

Analogs

41535359
41535359
41536063
41536063
41536068
41536068

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Popular Name: (2S)-2-(2-furyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-2-(2-furyl)-4-hydroxy-3-(2-…

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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) 1.21 7.51 -49.33 1 6 0 78 332.4 6 ↓
Lo Low (pH 4.5-6) 1.21 6.73 -41.03 2 6 1 75 333.408 6 ↓

Analogs

41536063
41536063
41536068
41536068
41535354
41535354

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Popular Name: (2R)-2-(2-furyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-2-(2-furyl)-4-hydroxy-3-(2-…

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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) 1.21 7.99 -68.54 1 6 0 78 332.4 6 ↓
Lo Low (pH 4.5-6) 1.21 7.06 -45.91 2 6 1 75 333.408 6 ↓

Analogs

41535368
41535368
41536073
41536073
41536077
41536077

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Popular Name: (2S)-4-hydroxy-2-(5-methyl-2-furyl)-3-(2-methylpropanoyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-4-hydroxy-2-(5-methyl-2-fur…

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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 8.23 -48.36 1 6 0 78 346.427 6 ↓
Lo Low (pH 4.5-6) 1.43 7.9 -45.53 2 6 1 75 347.435 6 ↓

Analogs

41536073
41536073
41536077
41536077
41535364
41535364

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Popular Name: (2R)-4-hydroxy-2-(5-methyl-2-furyl)-3-(2-methylpropanoyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-4-hydroxy-2-(5-methyl-2-fur…

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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 8.9 -70.92 1 6 0 78 346.427 6 ↓
Lo Low (pH 4.5-6) 1.43 7.67 -48.76 2 6 1 75 347.435 6 ↓

Parameters Provided:

ring.id = 545171
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 = 545171 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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