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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-(2,5-dimethyl-3-thienyl)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) 1.67 6.85 -39.7 1 3 1 25 267.418 4 ↓
Mid Mid (pH 6-8) 1.67 4.45 -5.97 0 3 0 24 266.41 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(2,5-dimethyl-3-thienyl)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) 1.67 6.92 -39.07 1 3 1 25 267.418 4 ↓
Mid Mid (pH 6-8) 1.67 4.52 -6.3 0 3 0 24 266.41 4 ↓

Analogs

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

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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) 2.83 6.5 -40.28 1 3 1 25 308.254 4 ↓
Mid Mid (pH 6-8) 2.83 4.1 -5.23 0 3 0 24 307.246 4 ↓

Analogs

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

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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) 2.83 6.48 -39.86 1 3 1 25 308.254 4 ↓
Mid Mid (pH 6-8) 2.83 4.09 -5.37 0 3 0 24 307.246 4 ↓

Analogs

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

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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) 3.09 6.72 -40.03 1 3 1 25 397.156 4 ↓
Mid Mid (pH 6-8) 3.09 4.31 -4.9 0 3 0 24 396.148 4 ↓

Analogs

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

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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) 3.09 6.71 -39.65 1 3 1 25 397.156 4 ↓
Mid Mid (pH 6-8) 3.09 4.32 -4.98 0 3 0 24 396.148 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-(2,5-dimethyl-3-thienyl)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) 2.42 7.96 -37.68 1 3 1 25 295.472 6 ↓
Mid Mid (pH 6-8) 2.42 5.84 -5.64 0 3 0 24 294.464 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(2,5-dimethyl-3-thienyl)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) 2.42 7.93 -37.28 1 3 1 25 295.472 6 ↓
Mid Mid (pH 6-8) 2.42 5.75 -5.61 0 3 0 24 294.464 6 ↓

Analogs

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

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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) 3.58 7.56 -38.24 1 3 1 25 336.308 6 ↓
Mid Mid (pH 6-8) 3.58 5.53 -4.91 0 3 0 24 335.3 6 ↓

Analogs

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

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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) 3.58 7.53 -37.83 1 3 1 25 336.308 6 ↓
Mid Mid (pH 6-8) 3.58 5.34 -4.88 0 3 0 24 335.3 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.85 7.75 -37.94 1 3 1 25 425.21 6 ↓
Mid Mid (pH 6-8) 3.85 5.75 -4.6 0 3 0 24 424.202 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.85 7.69 -37.54 1 3 1 25 425.21 6 ↓
Mid Mid (pH 6-8) 3.85 5.57 -4.56 0 3 0 24 424.202 6 ↓

Parameters Provided:

ring.id = 322430
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 = 322430 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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