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

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-7a-methyl-N-[(1S)-3-methyl-1-phenyl-butyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3 (3R,7aS)-7a-methyl-N-[(1S)-3-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) 2.30 8.85 -12.84 1 4 0 49 346.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-7a-methyl-N-[(1R)-3-methyl-1-phenyl-butyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3 (3R,7aS)-7a-methyl-N-[(1R)-3-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) 2.30 8.77 -14.44 1 4 0 49 346.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-7a-methyl-N-[(1S)-3-methyl-1-phenyl-butyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3 (3S,7aS)-7a-methyl-N-[(1S)-3-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) 2.30 8.84 -14.49 1 4 0 49 346.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-7a-methyl-N-[(1R)-3-methyl-1-phenyl-butyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3 (3S,7aS)-7a-methyl-N-[(1R)-3-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) 2.30 8.9 -15.99 1 4 0 49 346.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[(1S)-1-(4-methoxyphenyl)propyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole (3R,7aS)-N-[(1S)-1-(4-methoxyphe…

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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) 1.58 6.9 -15.1 1 5 0 59 348.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.58 6.91 -15.74 1 5 0 59 348.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.58 6.89 -16.68 1 5 0 59 348.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N-[(1R)-1-(4-methoxyphenyl)propyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole (3S,7aS)-N-[(1R)-1-(4-methoxyphe…

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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) 1.58 6.89 -16.19 1 5 0 59 348.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-7a-methyl-5-oxo-N-prop-2-ynyl-N-(p-tolylmethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3- (3R,7aS)-7a-methyl-5-oxo-N-prop-…

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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) 2.22 10.1 -15.35 0 4 0 41 342.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-7a-methyl-5-oxo-N-prop-2-ynyl-N-(p-tolylmethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3- (3S,7aS)-7a-methyl-5-oxo-N-prop-…

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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) 2.22 9.88 -16.5 0 4 0 41 342.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-7a-methyl-5-oxo-N-prop-2-ynyl-N-(p-tolylmethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3- (3R,7aR)-7a-methyl-5-oxo-N-prop-…

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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) 2.22 10.99 -17.28 0 4 0 41 342.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-7a-methyl-5-oxo-N-prop-2-ynyl-N-(p-tolylmethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3- (3S,7aR)-7a-methyl-5-oxo-N-prop-…

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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) 2.22 9.94 -16.17 0 4 0 41 342.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]th (3R,7aS)-N-[[2-[ethyl(methyl)ami…

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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) 1.80 8.3 -14.4 1 5 0 53 347.484 5 ↓
Lo Low (pH 4.5-6) 1.80 8.06 -45.39 2 5 1 54 348.492 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]th (3S,7aS)-N-[[2-[ethyl(methyl)ami…

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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) 1.80 8.31 -15.64 1 5 0 53 347.484 5 ↓
Lo Low (pH 4.5-6) 1.80 8.09 -42.06 2 5 1 54 348.492 5 ↓

Analogs

41871675
41871675
41871677
41871677
41871679
41871679

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[(1S)-1-(2-methoxyphenyl)propyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole (3R,7aS)-N-[(1S)-1-(2-methoxyphe…

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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) 1.53 7.73 -18.7 1 5 0 59 348.468 5 ↓

Analogs

41871677
41871677
41871679
41871679
41871673
41871673

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[(1R)-1-(2-methoxyphenyl)propyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole (3R,7aS)-N-[(1R)-1-(2-methoxyphe…

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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) 1.53 7.01 -17.49 1 5 0 59 348.468 5 ↓

Analogs

41871679
41871679
41871673
41871673
41871675
41871675

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N-[(1S)-1-(2-methoxyphenyl)propyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole (3S,7aS)-N-[(1S)-1-(2-methoxyphe…

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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) 1.53 7.7 -19.85 1 5 0 59 348.468 5 ↓

Analogs

41871673
41871673
41871675
41871675
41871677
41871677

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N-[(1R)-1-(2-methoxyphenyl)propyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole (3S,7aS)-N-[(1R)-1-(2-methoxyphe…

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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) 1.53 6.99 -17.97 1 5 0 59 348.468 5 ↓

Parameters Provided:

ring.id = 226862
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 = 226862 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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