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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: (2S)-4-[4-[(1R)-1-methylpropyl]piperazine-1-carbonyl]morpholine-2-carboxylic (2S)-4-[4-[(1R)-1-methylpropyl]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) 0.42 6.5 -77.51 1 7 0 77 299.371 3 ↓
Mid Mid (pH 6-8) 0.42 4.63 -52.68 0 7 -1 76 298.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[4-[(1S)-1-methylpropyl]piperazine-1-carbonyl]morpholine-2-carboxylic (2S)-4-[4-[(1S)-1-methylpropyl]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) 0.42 6.51 -77.86 1 7 0 77 299.371 3 ↓
Mid Mid (pH 6-8) 0.42 4.66 -52.8 0 7 -1 76 298.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[4-[(1R)-1-methylpropyl]piperazine-1-carbonyl]morpholine-2-carboxylic (2R)-4-[4-[(1R)-1-methylpropyl]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) 0.42 6.53 -78.5 1 7 0 77 299.371 3 ↓
Mid Mid (pH 6-8) 0.42 4.65 -53.01 0 7 -1 76 298.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[4-[(1S)-1-methylpropyl]piperazine-1-carbonyl]morpholine-2-carboxylic (2R)-4-[4-[(1S)-1-methylpropyl]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) 0.42 6.51 -78.04 1 7 0 77 299.371 3 ↓
Mid Mid (pH 6-8) 0.42 4.67 -52.82 0 7 -1 76 298.363 3 ↓

Analogs

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Popular Name: (2S)-4-(4-isobutylpiperazine-1-carbonyl)morpholine-2-carboxylic (2S)-4-(4-isobutylpiperazine-1-c…

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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) 0.33 6.86 -79.73 1 7 0 77 299.371 3 ↓
Mid Mid (pH 6-8) 0.33 4.91 -52.8 0 7 -1 76 298.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(4-isobutylpiperazine-1-carbonyl)morpholine-2-carboxylic (2R)-4-(4-isobutylpiperazine-1-c…

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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) 0.33 6.85 -79.82 1 7 0 77 299.371 3 ↓
Mid Mid (pH 6-8) 0.33 4.93 -52.88 0 7 -1 76 298.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-isopropylpiperazin-1-yl)-morpholino-methanone (4-isopropylpiperazin-1-yl)-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) 0.65 4.56 -42.71 1 5 1 37 242.343 1 ↓
Mid Mid (pH 6-8) 0.65 2.42 -8.78 0 5 0 36 241.335 1 ↓

Analogs

42952048
42952048
42952052
42952052
42952056
42952056
43065068
43065068
43065069
43065069

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(6R)-2,2,6-trimethylmorpholine-4-carbonyl]piperazin-1-yl]acetic 2-[4-[(6R)-2,2,6-trimethylmorpho…

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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 6.34 -35.04 1 7 0 77 299.371 2 ↓
Mid Mid (pH 6-8) -0.52 4.21 -44.37 0 7 -1 76 298.363 2 ↓

Analogs

42952048
42952048
42952052
42952052
42952056
42952056
43065068
43065068
43065069
43065069

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]piperazin-1-yl]acetic 2-[4-[(6S)-2,2,6-trimethylmorpho…

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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 6.34 -40.16 1 7 0 77 299.371 2 ↓
Mid Mid (pH 6-8) -0.52 4.22 -48.25 0 7 -1 76 298.363 2 ↓

Analogs

35783721
35783721
35783723
35783723
35783725
35783725
35783727
35783727
36325997
36325997

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-piperazin-1-yl-methanone [(2R,5R)-5-ethyl-2-methyl-morpho…

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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) 0.61 3.59 -51.04 2 5 1 49 242.343 1 ↓
Mid Mid (pH 6-8) 0.61 2.32 -8.53 1 5 0 45 241.335 1 ↓

Analogs

35783721
35783721
35783723
35783723
35783725
35783725
35783727
35783727
36325997
36325997

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-piperazin-1-yl-methanone [(2R,5S)-5-ethyl-2-methyl-morpho…

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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) 0.61 2.62 -49.24 2 5 1 49 242.343 1 ↓
Mid Mid (pH 6-8) 0.61 1.85 -7.78 1 5 0 45 241.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-piperazin-1-yl-methanone [(2S,5R)-5-ethyl-2-methyl-morpho…

Find On: PubMed — Wikipedia — Google

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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) 0.61 3.09 -49.92 2 5 1 49 242.343 1 ↓
Mid Mid (pH 6-8) 0.61 1.35 -7.04 1 5 0 45 241.335 1 ↓

Analogs

35783721
35783721
35783723
35783723
35783725
35783725
35783727
35783727
36325997
36325997

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-piperazin-1-yl-methanone [(2S,5S)-5-ethyl-2-methyl-morpho…

Find On: PubMed — Wikipedia — Google

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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) 0.61 3.6 -51 2 5 1 49 242.343 1 ↓
Mid Mid (pH 6-8) 0.61 2.31 -8.52 1 5 0 45 241.335 1 ↓

Analogs

35775192
35775192
35775195
35775195

Draw Identity 99% 90% 80% 70%

Popular Name: (3,3-dimethylmorpholin-4-yl)-piperazin-1-yl-methanone (3,3-dimethylmorpholin-4-yl)-pip…

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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 2.37 -50.17 2 5 1 49 228.316 0 ↓
Mid Mid (pH 6-8) 0.19 1.06 -8.14 1 5 0 45 227.308 0 ↓

Parameters Provided:

ring.id = 60511
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 = 60511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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