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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

52246724
52246724

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide N-[(1S)-1-cyclopropylethyl]-2-[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) 1.08 1.36 -10.47 1 5 0 47 337.386 8 ↓
Mid Mid (pH 6-8) 1.08 3.72 -36.68 2 5 1 48 338.394 8 ↓

Analogs

52246724
52246724

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide N-[(1R)-1-cyclopropylethyl]-2-[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) 1.08 1.61 -10.34 1 5 0 47 337.386 8 ↓
Mid Mid (pH 6-8) 1.08 3.97 -36.38 2 5 1 48 338.394 8 ↓

Analogs

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Popular Name: (2R)-N-(cyclopropylmethyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-propyl-propanamide (2R)-N-(cyclopropylmethyl)-2-[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) 2.23 5.55 -9.83 0 4 0 27 317.424 8 ↓
Lo Low (pH 4.5-6) 2.23 7.99 -33.95 1 4 1 28 318.432 8 ↓
Lo Low (pH 4.5-6) 2.23 7.69 -35.32 1 4 1 28 318.432 8 ↓

Analogs

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Popular Name: (2S)-N-(cyclopropylmethyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-propyl-propanamide (2S)-N-(cyclopropylmethyl)-2-[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) 2.23 5.98 -10.29 0 4 0 27 317.424 8 ↓
Lo Low (pH 4.5-6) 2.23 8.1 -34.68 1 4 1 28 318.432 8 ↓
Lo Low (pH 4.5-6) 2.23 8.13 -37.76 1 4 1 28 318.432 8 ↓

Analogs

37812056
37812056
37812142
37812142

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Popular Name: N-(cyclopropylmethyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetamide N-(cyclopropylmethyl)-2-[4-(2,2-…

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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) 1.28 1.88 -10.42 1 4 0 36 261.316 6 ↓
Lo Low (pH 4.5-6) 1.28 4.01 -37.45 2 4 1 37 262.324 6 ↓

Analogs

37805149
37805149
37805150
37805150
37805163
37805163
37805164
37805164
37805165
37805165

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetamide N-[(1S)-1-cyclopropylethyl]-2-[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) 1.61 2.47 -10.17 1 4 0 36 275.343 6 ↓
Lo Low (pH 4.5-6) 1.61 4.61 -37.01 2 4 1 37 276.351 6 ↓

Analogs

37805149
37805149
37805150
37805150
37805163
37805163
37805164
37805164
37805165
37805165

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetamide N-[(1R)-1-cyclopropylethyl]-2-[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) 1.61 2.6 -10.45 1 4 0 36 275.343 6 ↓
Lo Low (pH 4.5-6) 1.61 4.73 -37.12 2 4 1 37 276.351 6 ↓

Analogs

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Popular Name: (2R)-N-(cyclopropylmethyl)-N-ethyl-2-piperazin-1-yl-propanamide (2R)-N-(cyclopropylmethyl)-N-eth…

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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) 0.57 4.1 -42.31 2 4 1 40 240.371 5 ↓
Hi High (pH 8-9.5) 0.57 2.77 -7.47 1 4 0 36 239.363 5 ↓

Analogs

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Popular Name: (2S)-N-(cyclopropylmethyl)-N-ethyl-2-piperazin-1-yl-propanamide (2S)-N-(cyclopropylmethyl)-N-eth…

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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) 0.57 4.23 -41.45 2 4 1 40 240.371 5 ↓
Hi High (pH 8-9.5) 0.57 2.86 -7.53 1 4 0 36 239.363 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide N-[(1R)-1-cyano-1-cyclopropyl-et…

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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) 0.66 -0.58 -15.34 2 6 0 80 294.399 6 ↓
Mid Mid (pH 6-8) 0.66 1.75 -41.4 3 6 1 81 295.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]acetamide N-[(1R)-1-cyano-1-cyclopropyl-et…

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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) 0.66 -0.51 -14.9 2 6 0 80 294.399 6 ↓
Mid Mid (pH 6-8) 0.66 1.79 -42.76 3 6 1 81 295.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide N-[(1S)-1-cyano-1-cyclopropyl-et…

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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) 0.66 -0.49 -14.35 2 6 0 80 294.399 6 ↓
Mid Mid (pH 6-8) 0.66 1.84 -42.2 3 6 1 81 295.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]acetamide N-[(1S)-1-cyano-1-cyclopropyl-et…

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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) 0.66 -0.41 -14.08 2 6 0 80 294.399 6 ↓
Mid Mid (pH 6-8) 0.66 1.89 -42.94 3 6 1 81 295.407 6 ↓

Analogs

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Popular Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]acetamide N-[(1R)-1-cyano-1-cyclopropyl-et…

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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) 1.25 4.21 -39.39 2 6 1 70 309.434 7 ↓
Mid Mid (pH 6-8) 1.25 2.03 -15.27 1 6 0 69 308.426 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(3S)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]acetamide N-[(1R)-1-cyano-1-cyclopropyl-et…

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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) 1.25 3.89 -38.82 2 6 1 70 309.434 7 ↓
Mid Mid (pH 6-8) 1.25 1.64 -14.06 1 6 0 69 308.426 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(3S)-4-(2-ethoxyethyl)-3-methyl-piperazin-1-yl]acetamide N-[(1R)-1-cyano-1-cyclopropyl-et…

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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) 1.62 4.84 -38.79 2 6 1 70 323.461 8 ↓
Mid Mid (pH 6-8) 1.62 2.62 -13.91 1 6 0 69 322.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)-2-piperazin-1-yl-acetamide N-[(1S)-1-cyclopropylethyl]-N-(2…

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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) 0.17 3.89 -41.47 2 5 1 49 270.397 7 ↓
Hi High (pH 8-9.5) 0.17 2.52 -8.71 1 5 0 45 269.389 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)-2-piperazin-1-yl-acetamide N-[(1R)-1-cyclopropylethyl]-N-(2…

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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) 0.17 4.3 -41.53 2 5 1 49 270.397 7 ↓
Hi High (pH 8-9.5) 0.17 2.94 -8.59 1 5 0 45 269.389 7 ↓

Parameters Provided:

ring.id = 29925
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 = 29925 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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