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

Analogs

25405094
25405094
25405098
25405098
25405101
25405101
25405104
25405104
25407260
25407260

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-butyl-2-(2-methoxyphenyl)-N-(4-methylthiazol-2-yl)-6-oxo-piperidine-3-carboxamide (2R,3S)-1-butyl-2-(2-methoxyphen…

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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) 3.54 9.07 -16.23 1 6 0 72 401.532 7 ↓

Analogs

25405094
25405094
25405098
25405098
25405101
25405101
25405104
25405104
25407260
25407260

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-butyl-2-(2-methoxyphenyl)-N-(4-methylthiazol-2-yl)-6-oxo-piperidine-3-carboxamide (2S,3S)-1-butyl-2-(2-methoxyphen…

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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) 3.54 8.5 -15.51 1 6 0 72 401.532 7 ↓

Analogs

25405094
25405094
25405098
25405098
25405101
25405101
25405104
25405104
25407260
25407260

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-butyl-2-(2-methoxyphenyl)-N-(4-methylthiazol-2-yl)-6-oxo-piperidine-3-carboxamide (2R,3R)-1-butyl-2-(2-methoxyphen…

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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) 3.54 8.5 -15.42 1 6 0 72 401.532 7 ↓

Analogs

25405094
25405094
25405098
25405098
25405101
25405101
25405104
25405104
25407260
25407260

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-butyl-2-(2-methoxyphenyl)-N-(4-methylthiazol-2-yl)-6-oxo-piperidine-3-carboxamide (2S,3R)-1-butyl-2-(2-methoxyphen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.54 8.17 -19.42 1 6 0 72 401.532 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-butyl-2-(2-methoxyphenyl)-N-(5-methylthiazol-2-yl)-6-oxo-piperidine-3-carboxamide (2R,3S)-1-butyl-2-(2-methoxyphen…

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Activity (Go SEA)

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) 3.54 9.6 -20.89 1 6 0 72 401.532 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-butyl-2-(2-methoxyphenyl)-N-(5-methylthiazol-2-yl)-6-oxo-piperidine-3-carboxamide (2S,3S)-1-butyl-2-(2-methoxyphen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.54 9.04 -19.93 1 6 0 72 401.532 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-butyl-2-(2-methoxyphenyl)-N-(5-methylthiazol-2-yl)-6-oxo-piperidine-3-carboxamide (2R,3R)-1-butyl-2-(2-methoxyphen…

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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) 3.54 9.04 -19.94 1 6 0 72 401.532 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-butyl-2-(2-methoxyphenyl)-N-(5-methylthiazol-2-yl)-6-oxo-piperidine-3-carboxamide (2S,3R)-1-butyl-2-(2-methoxyphen…

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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) 3.54 8.71 -24.19 1 6 0 72 401.532 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.98 10.91 -20.34 1 8 0 98 473.595 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 3.98 10.33 -19.44 1 8 0 98 473.595 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 3.98 10.33 -19.48 1 8 0 98 473.595 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 3.98 10 -22.94 1 8 0 98 473.595 11 ↓

Parameters Provided:

ring.id = 108165
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 = 108165 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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