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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-4-piperidyl)-[(2R)-2-phenylmorpholin-4-yl]methanone (4-methyl-4-piperidyl)-[(2R)-2-p…

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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) 1.54 5.84 -43.7 2 4 1 46 289.399 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-4-piperidyl)-[(2S)-2-phenylmorpholin-4-yl]methanone (4-methyl-4-piperidyl)-[(2S)-2-p…

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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) 1.54 5.82 -44.78 2 4 1 46 289.399 2 ↓

Analogs

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Popular Name: [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(1-prop-2-ynyl-4-piperidyl)methanone [(2R)-2-(4-chlorophenyl)morpholi…

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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) 2.73 7.56 -11.11 0 4 0 33 346.858 3 ↓
Mid Mid (pH 6-8) 2.73 9.82 -47.45 1 4 1 34 347.866 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(1-prop-2-ynyl-4-piperidyl)methanone [(2S)-2-(4-chlorophenyl)morpholi…

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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) 2.73 7.56 -10.46 0 4 0 33 346.858 3 ↓
Mid Mid (pH 6-8) 2.73 9.84 -46.71 1 4 1 34 347.866 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2-chlorophenyl)morpholin-4-yl]-(1-prop-2-ynyl-4-piperidyl)methanone [(2R)-2-(2-chlorophenyl)morpholi…

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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) 2.68 7.49 -12.71 0 4 0 33 346.858 3 ↓
Mid Mid (pH 6-8) 2.68 9.75 -47.42 1 4 1 34 347.866 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(1-prop-2-ynyl-4-piperidyl)methanone [(2S)-2-(2-chlorophenyl)morpholi…

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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) 2.68 7.52 -11.9 0 4 0 33 346.858 3 ↓
Mid Mid (pH 6-8) 2.68 9.8 -46.36 1 4 1 34 347.866 3 ↓

Analogs

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Popular Name: [(2R)-2-phenylmorpholin-4-yl]-(4-piperidyl)methanone [(2R)-2-phenylmorpholin-4-yl]-(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) 1.30 5.91 -47.83 2 4 1 46 275.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-phenylmorpholin-4-yl]-(4-piperidyl)methanone [(2S)-2-phenylmorpholin-4-yl]-(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) 1.30 5.88 -49.61 2 4 1 46 275.372 2 ↓

Analogs

31178201
31178201
31178203
31178203

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(4-piperidyl)methanone [(2R)-2-(4-fluorophenyl)morpholi…

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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) 1.46 5.98 -49.82 2 4 1 46 293.362 2 ↓

Analogs

31178201
31178201
31178203
31178203

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-piperidyl)methanone [(2S)-2-(4-fluorophenyl)morpholi…

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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) 1.46 5.95 -50.39 2 4 1 46 293.362 2 ↓

Analogs

41173415
41173415
41173417
41173417

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Popular Name: [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4-piperidyl)methanone [(2R)-2-(4-chlorophenyl)morpholi…

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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) 1.98 6.43 -49.09 2 4 1 46 309.817 2 ↓

Analogs

41173415
41173415
41173417
41173417

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(4-piperidyl)methanone [(2S)-2-(4-chlorophenyl)morpholi…

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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) 1.98 6.4 -49.82 2 4 1 46 309.817 2 ↓

Analogs

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Popular Name: [(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1,4-dimethyl-4-piperidyl)methanone [(2R)-2-(3,4-dichlorophenyl)morp…

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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) 3.42 9.04 -41.07 1 4 1 34 372.316 2 ↓
Hi High (pH 8-9.5) 3.42 6.66 -9.5 0 4 0 33 371.308 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1,4-dimethyl-4-piperidyl)methanone [(2S)-2-(3,4-dichlorophenyl)morp…

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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) 3.42 9.02 -41.74 1 4 1 34 372.316 2 ↓
Hi High (pH 8-9.5) 3.42 6.61 -9.42 0 4 0 33 371.308 2 ↓

Parameters Provided:

ring.id = 118818
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 = 118818 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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