UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-[(2R)-2-methylmorpholin-4-yl]acetyl]piperidin-4-one 1-[2-[(2R)-2-methylmorpholin-4-y…

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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) -0.52 2.27 -11.25 0 5 0 50 240.303 2 ↓
Lo Low (pH 4.5-6) -0.52 4.48 -47.2 1 5 1 51 241.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2S)-2-methylmorpholin-4-yl]acetyl]piperidin-4-one 1-[2-[(2S)-2-methylmorpholin-4-y…

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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) -0.52 2.27 -11.22 0 5 0 50 240.303 2 ↓
Lo Low (pH 4.5-6) -0.52 4.48 -47.11 1 5 1 51 241.311 2 ↓

Analogs

42462614
42462614
42774735
42774735
42774739
42774739

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperidin-4-one 1-[2-[(3R)-3-methylmorpholin-4-y…

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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) -0.56 2.12 -10.93 0 5 0 50 240.303 2 ↓
Lo Low (pH 4.5-6) -0.56 4.24 -43.78 1 5 1 51 241.311 2 ↓

Analogs

42462614
42462614
42774735
42774735
42774739
42774739

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3S)-3-methylmorpholin-4-yl]acetyl]piperidin-4-one 1-[2-[(3S)-3-methylmorpholin-4-y…

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) -0.56 2.12 -10.87 0 5 0 50 240.303 2 ↓
Lo Low (pH 4.5-6) -0.56 4.24 -43.71 1 5 1 51 241.311 2 ↓

Analogs

43426210
43426210
43426211
43426211
43426212
43426212
43426213
43426213

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]acetyl]piperidin-4-one 1-[2-[(2R,5R)-2,5-dimethylmorpho…

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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) -0.19 2.7 -10.92 0 5 0 50 254.33 2 ↓
Lo Low (pH 4.5-6) -0.19 4.83 -44.93 1 5 1 51 255.338 2 ↓

Analogs

43426210
43426210
43426211
43426211
43426212
43426212
43426213
43426213

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]piperidin-4-one 1-[2-[(2S,5R)-2,5-dimethylmorpho…

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) -0.19 2.85 -10.91 0 5 0 50 254.33 2 ↓
Lo Low (pH 4.5-6) -0.19 4.98 -43.78 1 5 1 51 255.338 2 ↓

Analogs

42464893
42464893
42464895
42464895

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2R)-2-ethylmorpholin-4-yl]acetyl]piperidin-4-one 1-[2-[(2R)-2-ethylmorpholin-4-yl…

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) -0.02 3.1 -11.12 0 5 0 50 254.33 3 ↓
Lo Low (pH 4.5-6) -0.02 5.31 -47.89 1 5 1 51 255.338 3 ↓

Analogs

42464893
42464893
42464895
42464895

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2S)-2-ethylmorpholin-4-yl]acetyl]piperidin-4-one 1-[2-[(2S)-2-ethylmorpholin-4-yl…

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) -0.02 3.1 -11.06 0 5 0 50 254.33 3 ↓
Lo Low (pH 4.5-6) -0.02 5.31 -47.78 1 5 1 51 255.338 3 ↓

Analogs

45698554
45698554
45698557
45698557

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]piperidin-4-one 1-[2-(2,2-dimethylmorpholin-4-yl…

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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) -0.08 3.18 -10.89 0 5 0 50 254.33 2 ↓
Lo Low (pH 4.5-6) -0.08 5.07 -47 1 5 1 51 255.338 2 ↓

Analogs

42462614
42462614
43426210
43426210
43426211
43426211
43426212
43426212
43426213
43426213

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3R)-3-ethylmorpholin-4-yl]acetyl]piperidin-4-one 1-[2-[(3R)-3-ethylmorpholin-4-yl…

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) -0.02 2.8 -10.82 0 5 0 50 254.33 3 ↓
Lo Low (pH 4.5-6) -0.02 4.87 -43.8 1 5 1 51 255.338 3 ↓

Analogs

42462614
42462614
43426210
43426210
43426211
43426211
43426212
43426212
43426213
43426213

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3S)-3-ethylmorpholin-4-yl]acetyl]piperidin-4-one 1-[2-[(3S)-3-ethylmorpholin-4-yl…

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) -0.02 2.81 -10.73 0 5 0 50 254.33 3 ↓
Lo Low (pH 4.5-6) -0.02 4.89 -43.72 1 5 1 51 255.338 3 ↓

Analogs

37323429
37323429
37323431
37323431
37329028
37329028
37329030
37329030

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3,3-dimethylmorpholin-4-yl)acetyl]piperidin-4-one 1-[2-(3,3-dimethylmorpholin-4-yl…

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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) -0.08 2.49 -10.68 0 5 0 50 254.33 2 ↓
Lo Low (pH 4.5-6) -0.08 4.53 -41.68 1 5 1 51 255.338 2 ↓

Parameters Provided:

ring.id = 565056
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 = 565056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=565056&filter.purchasability=annotated

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