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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: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-3-yl)ethanone 2-[(3S)-3-(dimethylamino)pyrroli…

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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) 0.55 6.05 -40.62 1 4 1 30 236.339 4 ↓
Mid Mid (pH 6-8) 0.55 3.65 -8.26 0 4 0 28 235.331 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-3-yl)ethanone 2-[(3R)-3-(dimethylamino)pyrroli…

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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) 0.55 6.09 -40.56 1 4 1 30 236.339 4 ↓
Mid Mid (pH 6-8) 0.55 3.72 -8.25 0 4 0 28 235.331 4 ↓

Analogs

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Popular Name: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone 2-[(3S)-3-(dimethylamino)pyrroli…

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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) 1.37 7.89 -39.44 1 4 1 30 278.42 5 ↓
Mid Mid (pH 6-8) 1.37 5.49 -7.47 0 4 0 28 277.412 5 ↓

Analogs

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Popular Name: 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone 2-[(3R)-3-(dimethylamino)pyrroli…

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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) 1.37 7.94 -39.41 1 4 1 30 278.42 5 ↓
Mid Mid (pH 6-8) 1.37 5.56 -7.5 0 4 0 28 277.412 5 ↓

Analogs

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Popular Name: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 2-[(3S)-3-(dimethylamino)pyrroli…

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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) 0.99 7.04 -39.89 1 4 1 30 264.393 4 ↓
Mid Mid (pH 6-8) 0.99 4.64 -7.85 0 4 0 28 263.385 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 2-[(3R)-3-(dimethylamino)pyrroli…

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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) 0.99 7.09 -39.74 1 4 1 30 264.393 4 ↓
Mid Mid (pH 6-8) 0.99 4.71 -7.82 0 4 0 28 263.385 4 ↓

Analogs

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Popular Name: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone 2-[(3S)-3-(dimethylamino)pyrroli…

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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) 0.93 5.52 -37.46 2 4 1 41 250.366 4 ↓
Mid Mid (pH 6-8) 0.93 3.13 -7.73 1 4 0 39 249.358 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone 2-[(3R)-3-(dimethylamino)pyrroli…

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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) 0.93 5.51 -39.33 2 4 1 41 250.366 4 ↓
Mid Mid (pH 6-8) 0.93 3.13 -7.14 1 4 0 39 249.358 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-3-yl)ethanone 2-[(3R)-3-(diethylamino)pyrrolid…

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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 7.15 -38.54 1 4 1 30 264.393 6 ↓
Mid Mid (pH 6-8) 1.30 5.04 -7.88 0 4 0 28 263.385 6 ↓

Analogs

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Popular Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-3-yl)ethanone 2-[(3S)-3-(diethylamino)pyrrolid…

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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 7.13 -38.23 1 4 1 30 264.393 6 ↓
Mid Mid (pH 6-8) 1.30 4.95 -7.82 0 4 0 28 263.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 2-[(3R)-3-(diethylamino)pyrrolid…

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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) 1.75 8.12 -37.75 1 4 1 30 292.447 6 ↓
Mid Mid (pH 6-8) 1.75 6.09 -7.43 0 4 0 28 291.439 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 2-[(3S)-3-(diethylamino)pyrrolid…

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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) 1.75 8.14 -37.07 1 4 1 30 292.447 6 ↓
Mid Mid (pH 6-8) 1.75 5.98 -7.84 0 4 0 28 291.439 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone 2-[(3R)-3-(diethylamino)pyrrolid…

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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) 1.68 6.56 -37.32 2 4 1 41 278.42 6 ↓
Mid Mid (pH 6-8) 1.68 4.44 -6.75 1 4 0 39 277.412 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone 2-[(3S)-3-(diethylamino)pyrrolid…

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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) 1.68 6.59 -36.6 2 4 1 41 278.42 6 ↓
Mid Mid (pH 6-8) 1.68 4.5 -6.76 1 4 0 39 277.412 6 ↓

Parameters Provided:

ring.id = 265162
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 = 265162 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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