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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: 2-(4,5-dihydrothiazol-2-ylsulfanyl)-1-[(2R)-2-methyl-1-piperidyl]ethanone 2-(4,5-dihydrothiazol-2-ylsulfan…

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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) 1.72 4.77 -7.8 0 3 0 33 258.412 3 ↓
Lo Low (pH 4.5-6) 1.72 5.78 -35.7 1 3 1 34 259.42 3 ↓

Analogs

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Popular Name: 2-(4,5-dihydrothiazol-2-ylsulfanyl)-1-[(2S)-2-methyl-1-piperidyl]ethanone 2-(4,5-dihydrothiazol-2-ylsulfan…

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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) 1.72 4.76 -7.76 0 3 0 33 258.412 3 ↓
Lo Low (pH 4.5-6) 1.72 5.76 -35.6 1 3 1 34 259.42 3 ↓

Analogs

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Popular Name: (2R)-2-(4,5-dihydrothiazol-2-ylsulfanyl)-1-[(2R)-2-ethyl-1-piperidyl]propan-1-one (2R)-2-(4,5-dihydrothiazol-2-yls…

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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) 2.62 6.24 -7.69 0 3 0 33 286.466 4 ↓
Lo Low (pH 4.5-6) 2.62 7.03 -33.72 1 3 1 34 287.474 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4,5-dihydrothiazol-2-ylsulfanyl)-1-[(2S)-2-ethyl-1-piperidyl]propan-1-one (2R)-2-(4,5-dihydrothiazol-2-yls…

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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) 2.62 6.31 -7.48 0 3 0 33 286.466 4 ↓
Lo Low (pH 4.5-6) 2.62 7.08 -33.59 1 3 1 34 287.474 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4,5-dihydrothiazol-2-ylsulfanyl)-1-[(2R)-2-ethyl-1-piperidyl]propan-1-one (2S)-2-(4,5-dihydrothiazol-2-yls…

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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) 2.62 6.19 -7.61 0 3 0 33 286.466 4 ↓
Lo Low (pH 4.5-6) 2.62 7 -33.78 1 3 1 34 287.474 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4,5-dihydrothiazol-2-ylsulfanyl)-1-[(2S)-2-ethyl-1-piperidyl]propan-1-one (2S)-2-(4,5-dihydrothiazol-2-yls…

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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) 2.62 6.19 -7.71 0 3 0 33 286.466 4 ↓
Lo Low (pH 4.5-6) 2.62 7 -33.63 1 3 1 34 287.474 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4,5-dihydrothiazol-2-ylsulfanyl)-1-(4-methyl-1-piperidyl)propan-1-one (2R)-2-(4,5-dihydrothiazol-2-yls…

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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) 2.00 5.64 -8.25 0 3 0 33 272.439 3 ↓
Lo Low (pH 4.5-6) 2.00 6.43 -34.86 1 3 1 34 273.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4,5-dihydrothiazol-2-ylsulfanyl)-1-(4-methyl-1-piperidyl)propan-1-one (2S)-2-(4,5-dihydrothiazol-2-yls…

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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) 2.00 5.6 -8.45 0 3 0 33 272.439 3 ↓
Lo Low (pH 4.5-6) 2.00 6.41 -35 1 3 1 34 273.447 3 ↓

Analogs

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Popular Name: 2-(4,5-dihydrothiazol-2-ylsulfanyl)-1-[(2S,6R)-2,6-dimethyl-1-piperidyl]ethanone 2-(4,5-dihydrothiazol-2-ylsulfan…

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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) 2.05 4.96 -7.97 0 3 0 33 272.439 3 ↓
Lo Low (pH 4.5-6) 2.05 5.96 -35.63 1 3 1 34 273.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5-dihydrothiazol-2-ylsulfanyl)-1-[(2S,6S)-2,6-dimethyl-1-piperidyl]ethanone 2-(4,5-dihydrothiazol-2-ylsulfan…

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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) 2.05 5.31 -7.5 0 3 0 33 272.439 3 ↓
Lo Low (pH 4.5-6) 2.05 6.31 -35.17 1 3 1 34 273.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5-dihydrothiazol-2-ylsulfanyl)-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]ethanone 2-(4,5-dihydrothiazol-2-ylsulfan…

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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) 2.05 5.33 -7.48 0 3 0 33 272.439 3 ↓
Lo Low (pH 4.5-6) 2.05 6.33 -35.2 1 3 1 34 273.447 3 ↓

Parameters Provided:

ring.id = 264834
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 = 264834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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