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

Analogs

19358599
19358599
19938420
19938420
19938421
19938421
40019673
40019673
40019674
40019674

Draw Identity 99% 90% 80% 70%

Popular Name: (4E,5R)-1-(3-diethylaminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl-hydroxy-methylene)-5-(5-methyl- (4E,5R)-1-(3-diethylaminopropyl)…

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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) 2.42 9.6 -74.77 1 8 0 96 454.523 9 ↓

Analogs

20219351
20219351
20219352
20219352
20291002
20291002
40019669
40019669
40096887
40096887

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Popular Name: (4E,5R)-1-(3-diethylaminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl-hydroxy-methylene)-5-(2-furyl)p (4E,5R)-1-(3-diethylaminopropyl)…

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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) 2.20 8.78 -73.62 1 8 0 96 440.496 9 ↓

Analogs

41541352
41541352
6564916
6564916
6564931
6564931

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Popular Name: (2S)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2-furyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-3-(2,3-dihydro-1,4-benzodio…

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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) 1.14 4.46 -60.45 0 7 -1 92 340.311 3 ↓
Lo Low (pH 4.5-6) 1.14 3.72 -16.59 1 7 0 89 341.319 3 ↓

Analogs

6564916
6564916
6564931
6564931

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2-furyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-3-(2,3-dihydro-1,4-benzodio…

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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) 1.14 4.43 -60.5 0 7 -1 92 340.311 3 ↓
Lo Low (pH 4.5-6) 1.14 3.68 -16.51 1 7 0 89 341.319 3 ↓

Analogs

41541358
41541358
40096437
40096437
40096439
40096439
40096662
40096662
40096663
40096663

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-methyl-2-(5-methyl-2-furyl)-2H-pyrrol-5 (2S)-3-(2,3-dihydro-1,4-benzodio…

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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) 1.37 5.27 -61.61 0 7 -1 92 354.338 3 ↓
Lo Low (pH 4.5-6) 1.37 4.52 -17 1 7 0 89 355.346 3 ↓

Analogs

40096437
40096437
40096439
40096439
40096662
40096662
40096663
40096663
40096900
40096900

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-methyl-2-(5-methyl-2-furyl)-2H-pyrrol-5 (2R)-3-(2,3-dihydro-1,4-benzodio…

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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) 1.37 5.21 -61.49 0 7 -1 92 354.338 3 ↓
Lo Low (pH 4.5-6) 1.37 4.46 -16.81 1 7 0 89 355.346 3 ↓

Parameters Provided:

ring.id = 114674
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 = 114674 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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