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

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Popular Name: (3R,7aS)-7a-methyl-N-(2-methyl-2-phenyl-propyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3R,7aS)-7a-methyl-N-(2-methyl-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) 2.74 8.03 -18.42 1 4 0 49 332.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-7a-methyl-N-(2-methyl-2-phenyl-propyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3S,7aS)-7a-methyl-N-(2-methyl-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) 2.74 8.89 -19.39 1 4 0 49 332.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-7a-methyl-N-(2-methyl-2-phenyl-propyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3R,7aR)-7a-methyl-N-(2-methyl-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) 2.74 8.04 -19.7 1 4 0 49 332.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-7a-methyl-N-(2-methyl-2-phenyl-propyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3S,7aR)-7a-methyl-N-(2-methyl-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) 2.74 7.98 -18.19 1 4 0 49 332.469 4 ↓

Analogs

15940745
15940745
15940747
15940747
15940749
15940749
25919870
25919870
25919873
25919873

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-N-[2-(4-fluorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carb (3S,7aR)-N-[2-(4-fluorophenyl)et…

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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) 1.94 7.03 -18.33 1 4 0 49 322.405 4 ↓

Analogs

15940747
15940747
15940749
15940749
25919870
25919870
25919873
25919873
25919878
25919878

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N-[2-(4-fluorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carb (3S,7aS)-N-[2-(4-fluorophenyl)et…

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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) 1.94 8.03 -19.73 1 4 0 49 322.405 4 ↓

Analogs

15940749
15940749
25919870
25919870
25919873
25919873
25919878
25919878
25919884
25919884

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-N-[2-(4-fluorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carb (3R,7aR)-N-[2-(4-fluorophenyl)et…

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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) 1.94 7.92 -19.56 1 4 0 49 322.405 4 ↓

Analogs

25919870
25919870
25919873
25919873
25919878
25919878
25919884
25919884
25920891
25920891

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[2-(4-fluorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carb (3R,7aS)-N-[2-(4-fluorophenyl)et…

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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) 1.94 7.03 -18.31 1 4 0 49 322.405 4 ↓

Analogs

15940939
15940939
15940941
15940941
15940943
15940943

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-7a-methyl-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-c (3S,7aR)-7a-methyl-5-oxo-N-[2-(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) 0.46 1.92 -24.46 3 7 0 110 383.495 5 ↓

Analogs

15940941
15940941
15940943
15940943
15940937
15940937

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-7a-methyl-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-c (3S,7aS)-7a-methyl-5-oxo-N-[2-(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) 0.46 2.79 -25.17 3 7 0 110 383.495 5 ↓

Analogs

15940943
15940943
15940937
15940937

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-7a-methyl-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-c (3R,7aR)-7a-methyl-5-oxo-N-[2-(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) 0.46 2.54 -25.88 3 7 0 110 383.495 5 ↓

Analogs

15940937
15940937

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-7a-methyl-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-c (3R,7aS)-7a-methyl-5-oxo-N-[2-(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) 0.46 1.92 -24.56 3 7 0 110 383.495 5 ↓

Analogs

15941030
15941030
15941032
15941032
15941033
15941033

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[2-(3,4-diethoxyphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3- (3R,7aS)-N-[2-(3,4-diethoxypheny…

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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) 2.17 7.95 -21.17 1 6 0 68 392.521 8 ↓

Analogs

15941032
15941032
15941033
15941033
15941028
15941028

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N-[2-(3,4-diethoxyphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3- (3S,7aS)-N-[2-(3,4-diethoxypheny…

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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) 2.17 7.97 -22.55 1 6 0 68 392.521 8 ↓

Analogs

15941033
15941033
15941028
15941028

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-N-[2-(3,4-diethoxyphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3- (3R,7aR)-N-[2-(3,4-diethoxypheny…

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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) 2.17 8.84 -22.14 1 6 0 68 392.521 8 ↓

Analogs

15941028
15941028

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-N-[2-(3,4-diethoxyphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3- (3S,7aR)-N-[2-(3,4-diethoxypheny…

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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) 2.17 7.95 -21.37 1 6 0 68 392.521 8 ↓

Parameters Provided:

ring.id = 12476
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 = 12476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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