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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: (E)-3-(2-fluorophenyl)-1-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one (E)-3-(2-fluorophenyl)-1-[(2R)-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) 3.83 10.05 -13.47 0 2 0 20 301.386 3 ↓

Analogs

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Popular Name: (E)-3-(2-fluorophenyl)-1-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one (E)-3-(2-fluorophenyl)-1-[(2S)-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) 3.83 10.05 -13.49 0 2 0 20 301.386 3 ↓

Analogs

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Popular Name: 2-methoxy-N-methyl-5-[(E)-3-oxo-3-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]prop-1-enyl]benzenesulfonamide 2-methoxy-N-methyl-5-[(E)-3-oxo-…

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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) 2.95 6.05 -20.46 1 6 0 76 406.529 6 ↓

Analogs

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Popular Name: 2-methoxy-N-methyl-5-[(E)-3-oxo-3-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]prop-1-enyl]benzenesulfonamide 2-methoxy-N-methyl-5-[(E)-3-oxo-…

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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) 2.95 6.04 -20.4 1 6 0 76 406.529 6 ↓

Analogs

37827653
37827653
37827654
37827654

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Popular Name: (E)-3-phenyl-1-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one (E)-3-phenyl-1-[(2R)-2-(2-thieny…

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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) 3.90 10.01 -10.27 0 2 0 20 283.396 3 ↓

Analogs

37827653
37827653
37827654
37827654

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-phenyl-1-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one (E)-3-phenyl-1-[(2S)-2-(2-thieny…

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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) 3.90 10.01 -10.31 0 2 0 20 283.396 3 ↓

Analogs

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Popular Name: (E)-3-(3-methoxyphenyl)-1-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one (E)-3-(3-methoxyphenyl)-1-[(2R)-…

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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) 3.93 9.31 -12.31 0 3 0 30 313.422 4 ↓

Analogs

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Popular Name: (E)-3-(3-methoxyphenyl)-1-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one (E)-3-(3-methoxyphenyl)-1-[(2S)-…

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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) 3.93 9.31 -12.29 0 3 0 30 313.422 4 ↓

Analogs

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Popular Name: (E)-3-(2-nitrophenyl)-1-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one (E)-3-(2-nitrophenyl)-1-[(2R)-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) 3.63 10.62 -20.08 0 5 0 66 328.393 4 ↓

Analogs

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Popular Name: (E)-3-(2-nitrophenyl)-1-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one (E)-3-(2-nitrophenyl)-1-[(2S)-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) 3.63 10.62 -20.45 0 5 0 66 328.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-methoxyphenyl)-1-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one (E)-3-(2-methoxyphenyl)-1-[(2R)-…

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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) 3.73 9.38 -13.3 0 3 0 30 313.422 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-methoxyphenyl)-1-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one (E)-3-(2-methoxyphenyl)-1-[(2S)-…

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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) 3.73 9.38 -13.33 0 3 0 30 313.422 4 ↓

Parameters Provided:

ring.id = 295037
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 = 295037 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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