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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-[2-[(2S)-2-(4-tert-butylphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide 1-[2-[(2S)-2-(4-tert-butylphenyl…

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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) 2.89 8.86 -42 3 5 1 68 372.533 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2R)-2-(4-tert-butylphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide 1-[2-[(2R)-2-(4-tert-butylphenyl…

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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) 2.89 8.18 -37.12 3 5 1 68 372.533 5 ↓

Analogs

25068929
25068929
25068934
25068934
9902390
9902390
9902392
9902392

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Popular Name: 2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-(1-piperidyl)ethanone 2-[(2S)-2-(3-methoxyphenyl)pyrro…

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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) 2.62 9.18 -36.47 1 4 1 34 303.426 4 ↓
Hi High (pH 8-9.5) 2.62 7.49 -9.46 0 4 0 33 302.418 4 ↓

Analogs

9902390
9902390
9902392
9902392

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Popular Name: 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-(1-piperidyl)ethanone 2-[(2R)-2-(3-methoxyphenyl)pyrro…

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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) 2.62 9.16 -35.29 1 4 1 34 303.426 4 ↓
Hi High (pH 8-9.5) 2.62 7.49 -8.85 0 4 0 33 302.418 4 ↓

Analogs

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Popular Name: 1-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone 1-[(2S,6R)-2,6-dimethyl-1-piperi…

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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) 3.30 9.96 -37.03 1 4 1 34 331.48 4 ↓
Hi High (pH 8-9.5) 3.30 8.16 -9.45 0 4 0 33 330.472 4 ↓

Analogs

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Popular Name: 1-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone 1-[(2S,6S)-2,6-dimethyl-1-piperi…

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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) 3.30 10.35 -37.66 1 4 1 34 331.48 4 ↓
Hi High (pH 8-9.5) 3.30 8.64 -9.26 0 4 0 33 330.472 4 ↓

Analogs

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Popular Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone 1-[(2R,6R)-2,6-dimethyl-1-piperi…

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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) 3.30 10.37 -37.57 1 4 1 34 331.48 4 ↓
Hi High (pH 8-9.5) 3.30 8.64 -9.09 0 4 0 33 330.472 4 ↓

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) 2.69 10.76 -34.99 1 5 1 51 345.463 6 ↓
Hi High (pH 8-9.5) 2.69 8.61 -10.22 0 5 0 50 344.455 6 ↓

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) 2.69 11.43 -39.15 1 5 1 51 345.463 6 ↓
Hi High (pH 8-9.5) 2.69 9.7 -11.28 0 5 0 50 344.455 6 ↓

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) 2.85 10.8 -41.01 1 5 1 51 363.453 6 ↓
Hi High (pH 8-9.5) 2.85 8.66 -10.18 0 5 0 50 362.445 6 ↓

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) 2.85 10.8 -40.66 1 5 1 51 363.453 6 ↓
Hi High (pH 8-9.5) 2.85 8.65 -9.91 0 5 0 50 362.445 6 ↓

Analogs

42915177
42915177
42915178
42915178
42915180
42915180
42915182
42915182

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Popular Name: 2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(1-piperidyl)ethanone 2-[(2S)-2-(4-fluorophenyl)pyrrol…

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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) 2.75 9.96 -40.77 1 3 1 25 291.39 3 ↓
Hi High (pH 8-9.5) 2.75 8.26 -9.73 0 3 0 24 290.382 3 ↓

Analogs

42915177
42915177
42915178
42915178
42915180
42915180
42915182
42915182

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(1-piperidyl)ethanone 2-[(2R)-2-(4-fluorophenyl)pyrrol…

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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) 2.75 9.28 -35.06 1 3 1 25 291.39 3 ↓
Hi High (pH 8-9.5) 2.75 7.12 -7.77 0 3 0 24 290.382 3 ↓

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) 2.85 10.84 -39.86 1 5 1 51 363.453 6 ↓
Hi High (pH 8-9.5) 2.85 8.67 -10.6 0 5 0 50 362.445 6 ↓

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) 2.85 11.5 -44.32 1 5 1 51 363.453 6 ↓
Hi High (pH 8-9.5) 2.85 9.76 -12.1 0 5 0 50 362.445 6 ↓

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) 2.98 11.71 -39.42 1 5 1 51 363.453 6 ↓
Hi High (pH 8-9.5) 2.98 9.55 -13.6 0 5 0 50 362.445 6 ↓

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) 2.98 12.35 -45.8 1 5 1 51 363.453 6 ↓
Hi High (pH 8-9.5) 2.98 10.66 -16.19 0 5 0 50 362.445 6 ↓

Analogs

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Popular Name: 2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-[(3R)-3-methyl-1-piperidyl]ethanone 2-[(2R)-2-(4-fluorophenyl)pyrrol…

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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) 2.99 9.87 -35.17 1 3 1 25 305.417 3 ↓
Hi High (pH 8-9.5) 2.99 7.71 -7.65 0 3 0 24 304.409 3 ↓

Analogs

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Popular Name: 2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-[(3S)-3-methyl-1-piperidyl]ethanone 2-[(2R)-2-(4-fluorophenyl)pyrrol…

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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) 2.99 10.56 -40.91 1 3 1 25 305.417 3 ↓
Hi High (pH 8-9.5) 2.99 8.83 -9.64 0 3 0 24 304.409 3 ↓

Analogs

3995114
3995114

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Popular Name: 1-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone 1-[(2S,6R)-2,6-dimethyl-1-piperi…

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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) 3.41 10.73 -39.14 1 3 1 25 319.444 3 ↓
Hi High (pH 8-9.5) 3.41 8.94 -8.43 0 3 0 24 318.436 3 ↓

Analogs

3995114
3995114

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Popular Name: 1-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone 1-[(2S,6S)-2,6-dimethyl-1-piperi…

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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) 3.41 11.12 -39.82 1 3 1 25 319.444 3 ↓
Hi High (pH 8-9.5) 3.41 9.42 -8.18 0 3 0 24 318.436 3 ↓

Analogs

3995114
3995114

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Popular Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone 1-[(2R,6R)-2,6-dimethyl-1-piperi…

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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) 3.41 11.14 -39.69 1 3 1 25 319.444 3 ↓
Hi High (pH 8-9.5) 3.41 9.42 -8.01 0 3 0 24 318.436 3 ↓

Parameters Provided:

ring.id = 20943
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 = 20943 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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