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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: (5S)-5-(2-thienyl)pyrrolidin-2-one (5S)-5-(2-thienyl)pyrrolidin-2-one

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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 2.81 -8.47 1 2 0 29 167.233 1 ↓

Analogs

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Popular Name: (5R)-5-(2-thienyl)pyrrolidin-2-one (5R)-5-(2-thienyl)pyrrolidin-2-one

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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 2.82 -8.48 1 2 0 29 167.233 1 ↓

Analogs

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Popular Name: (2S,3R)-2-(5-bromo-2-thienyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2S,3R)-2-(5-bromo-2-thienyl)-1-…

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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) 1.82 6.22 -38.78 0 4 -1 60 303.157 2 ↓

Analogs

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Popular Name: (2R,3R)-2-(5-bromo-2-thienyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2R,3R)-2-(5-bromo-2-thienyl)-1-…

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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) 1.82 6.12 -39.3 0 4 -1 60 303.157 2 ↓

Analogs

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Popular Name: (2S,3S)-2-(5-bromo-2-thienyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2S,3S)-2-(5-bromo-2-thienyl)-1-…

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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) 1.82 6.37 -41.78 0 4 -1 60 303.157 2 ↓

Analogs

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Popular Name: (2R,3S)-2-(5-bromo-2-thienyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2R,3S)-2-(5-bromo-2-thienyl)-1-…

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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) 1.82 6.02 -46.21 0 4 -1 60 303.157 2 ↓

Analogs

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Popular Name: (2S,3R)-2-(4-bromo-2-thienyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2S,3R)-2-(4-bromo-2-thienyl)-1-…

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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) 1.63 6.11 -38.56 0 4 -1 60 303.157 2 ↓

Analogs

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Popular Name: (2R,3R)-2-(4-bromo-2-thienyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2R,3R)-2-(4-bromo-2-thienyl)-1-…

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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) 1.63 6 -41.36 0 4 -1 60 303.157 2 ↓

Analogs

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Popular Name: (2S,3S)-2-(4-bromo-2-thienyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2S,3S)-2-(4-bromo-2-thienyl)-1-…

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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) 1.63 6.25 -42.84 0 4 -1 60 303.157 2 ↓

Analogs

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Popular Name: (2R,3S)-2-(4-bromo-2-thienyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2R,3S)-2-(4-bromo-2-thienyl)-1-…

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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) 1.63 5.9 -44.18 0 4 -1 60 303.157 2 ↓

Analogs

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Popular Name: (2S,3R)-1-methyl-2-(3-methyl-2-thienyl)-5-oxo-pyrrolidine-3-carboxylic (2S,3R)-1-methyl-2-(3-methyl-2-t…

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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) 1.27 6 -41.38 0 4 -1 60 238.288 2 ↓

Analogs

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Popular Name: (2R,3R)-1-methyl-2-(3-methyl-2-thienyl)-5-oxo-pyrrolidine-3-carboxylic (2R,3R)-1-methyl-2-(3-methyl-2-t…

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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) 1.27 5.96 -43.1 0 4 -1 60 238.288 2 ↓

Analogs

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Popular Name: (2S,3S)-1-methyl-2-(3-methyl-2-thienyl)-5-oxo-pyrrolidine-3-carboxylic (2S,3S)-1-methyl-2-(3-methyl-2-t…

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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) 1.27 6.17 -44.86 0 4 -1 60 238.288 2 ↓

Analogs

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Popular Name: (2R,3S)-1-methyl-2-(3-methyl-2-thienyl)-5-oxo-pyrrolidine-3-carboxylic (2R,3S)-1-methyl-2-(3-methyl-2-t…

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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) 1.27 5.85 -48.27 0 4 -1 60 238.288 2 ↓

Analogs

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Popular Name: (2S,3R)-1-methyl-2-(5-methyl-2-thienyl)-5-oxo-pyrrolidine-3-carboxylic (2S,3R)-1-methyl-2-(5-methyl-2-t…

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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) 1.11 6.33 -41.78 0 4 -1 60 238.288 2 ↓

Analogs

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Popular Name: (2R,3R)-1-methyl-2-(5-methyl-2-thienyl)-5-oxo-pyrrolidine-3-carboxylic (2R,3R)-1-methyl-2-(5-methyl-2-t…

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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) 1.11 6.25 -43.16 0 4 -1 60 238.288 2 ↓

Analogs

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Popular Name: (2S,3S)-1-methyl-2-(5-methyl-2-thienyl)-5-oxo-pyrrolidine-3-carboxylic (2S,3S)-1-methyl-2-(5-methyl-2-t…

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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) 1.11 6.48 -44.81 0 4 -1 60 238.288 2 ↓

Analogs

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Popular Name: (2R,3S)-1-methyl-2-(5-methyl-2-thienyl)-5-oxo-pyrrolidine-3-carboxylic (2R,3S)-1-methyl-2-(5-methyl-2-t…

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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) 1.11 6.15 -48.41 0 4 -1 60 238.288 2 ↓

Analogs

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Popular Name: (2S,3R)-1-ethyl-5-oxo-2-(2-thienyl)pyrrolidine-3-carboxylic (2S,3R)-1-ethyl-5-oxo-2-(2-thien…

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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) 1.27 6.48 -40.45 0 4 -1 60 238.288 3 ↓

Analogs

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Popular Name: (2R,3R)-1-ethyl-5-oxo-2-(2-thienyl)pyrrolidine-3-carboxylic (2R,3R)-1-ethyl-5-oxo-2-(2-thien…

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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) 1.27 6.43 -43.02 0 4 -1 60 238.288 3 ↓

Analogs

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Popular Name: (2S,3S)-1-ethyl-5-oxo-2-(2-thienyl)pyrrolidine-3-carboxylic (2S,3S)-1-ethyl-5-oxo-2-(2-thien…

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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) 1.27 6.62 -45.29 0 4 -1 60 238.288 3 ↓

Analogs

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Popular Name: (2R,3S)-1-ethyl-5-oxo-2-(2-thienyl)pyrrolidine-3-carboxylic (2R,3S)-1-ethyl-5-oxo-2-(2-thien…

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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) 1.27 5.89 -47.72 0 4 -1 60 238.288 3 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-methyl-5-(3-methyl-2-thienyl)pyrrolidin-2-one (4R,5S)-4-amino-1-methyl-5-(3-me…

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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) 0.52 3.12 -52.37 3 3 1 48 211.31 1 ↓
Hi High (pH 8-9.5) 0.52 2.83 -7.91 2 3 0 46 210.302 1 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-methyl-5-(3-methyl-2-thienyl)pyrrolidin-2-one (4R,5R)-4-amino-1-methyl-5-(3-me…

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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) 0.52 2.67 -58.34 3 3 1 48 211.31 1 ↓
Hi High (pH 8-9.5) 0.52 2.37 -7.84 2 3 0 46 210.302 1 ↓

Analogs

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Popular Name: (4S,5S)-4-amino-1-methyl-5-(3-methyl-2-thienyl)pyrrolidin-2-one (4S,5S)-4-amino-1-methyl-5-(3-me…

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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) 0.52 2.95 -57.08 3 3 1 48 211.31 1 ↓
Hi High (pH 8-9.5) 0.52 2.65 -9.12 2 3 0 46 210.302 1 ↓

Analogs

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Popular Name: (4S,5R)-4-amino-1-methyl-5-(3-methyl-2-thienyl)pyrrolidin-2-one (4S,5R)-4-amino-1-methyl-5-(3-me…

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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) 0.52 2.93 -47.94 3 3 1 48 211.31 1 ↓
Hi High (pH 8-9.5) 0.52 2.65 -8.89 2 3 0 46 210.302 1 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-5-(5-ethyl-2-thienyl)-1-methyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(5-ethyl-2-thi…

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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 4.22 -53.44 3 3 1 48 225.337 2 ↓
Hi High (pH 8-9.5) 0.93 3.94 -7.76 2 3 0 46 224.329 2 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-5-(5-ethyl-2-thienyl)-1-methyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(5-ethyl-2-thi…

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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 3.74 -58.64 3 3 1 48 225.337 2 ↓
Hi High (pH 8-9.5) 0.93 3.45 -7.64 2 3 0 46 224.329 2 ↓

Analogs

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Popular Name: (4S,5S)-4-amino-5-(5-ethyl-2-thienyl)-1-methyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(5-ethyl-2-thi…

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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 4.05 -57.16 3 3 1 48 225.337 2 ↓
Hi High (pH 8-9.5) 0.93 3.76 -8.96 2 3 0 46 224.329 2 ↓

Analogs

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Popular Name: (4S,5R)-4-amino-5-(5-ethyl-2-thienyl)-1-methyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(5-ethyl-2-thi…

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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 3.99 -48.35 3 3 1 48 225.337 2 ↓
Hi High (pH 8-9.5) 0.93 3.71 -8.81 2 3 0 46 224.329 2 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-5-(4-bromo-2-thienyl)-1-methyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(4-bromo-2-thi…

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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) 0.88 3.2 -54.21 3 3 1 48 276.179 1 ↓
Hi High (pH 8-9.5) 0.88 2.91 -7.24 2 3 0 46 275.171 1 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-5-(4-bromo-2-thienyl)-1-methyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(4-bromo-2-thi…

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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) 0.88 2.71 -59.35 3 3 1 48 276.179 1 ↓
Hi High (pH 8-9.5) 0.88 2.42 -7.26 2 3 0 46 275.171 1 ↓

Analogs

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Popular Name: (4S,5S)-4-amino-5-(4-bromo-2-thienyl)-1-methyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(4-bromo-2-thi…

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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) 0.88 3.03 -57.88 3 3 1 48 276.179 1 ↓
Hi High (pH 8-9.5) 0.88 2.74 -8.13 2 3 0 46 275.171 1 ↓

Analogs

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Popular Name: (4S,5R)-4-amino-5-(4-bromo-2-thienyl)-1-methyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(4-bromo-2-thi…

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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) 0.88 2.96 -50.89 3 3 1 48 276.179 1 ↓
Hi High (pH 8-9.5) 0.88 2.68 -8.39 2 3 0 46 275.171 1 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-5-(5-bromo-2-thienyl)-1-methyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(5-bromo-2-thi…

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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) 1.07 3.32 -56.87 3 3 1 48 276.179 1 ↓
Hi High (pH 8-9.5) 1.07 3.03 -7.94 2 3 0 46 275.171 1 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-5-(5-bromo-2-thienyl)-1-methyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(5-bromo-2-thi…

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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) 1.07 2.83 -62.49 3 3 1 48 276.179 1 ↓
Hi High (pH 8-9.5) 1.07 2.54 -7.74 2 3 0 46 275.171 1 ↓

Analogs

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Popular Name: (4S,5S)-4-amino-5-(5-bromo-2-thienyl)-1-methyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(5-bromo-2-thi…

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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) 1.07 3.15 -60.58 3 3 1 48 276.179 1 ↓
Hi High (pH 8-9.5) 1.07 2.86 -9.16 2 3 0 46 275.171 1 ↓

Analogs

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Popular Name: (4S,5R)-4-amino-5-(5-bromo-2-thienyl)-1-methyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(5-bromo-2-thi…

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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) 1.07 3.08 -51.65 3 3 1 48 276.179 1 ↓
Hi High (pH 8-9.5) 1.07 2.8 -9.44 2 3 0 46 275.171 1 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-methyl-5-(5-methyl-2-thienyl)pyrrolidin-2-one (4R,5S)-4-amino-1-methyl-5-(5-me…

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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) 0.36 3.43 -53.38 3 3 1 48 211.31 1 ↓
Hi High (pH 8-9.5) 0.36 3.15 -7.96 2 3 0 46 210.302 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-methyl-5-(5-methyl-2-thienyl)pyrrolidin-2-one (4R,5R)-4-amino-1-methyl-5-(5-me…

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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) 0.36 2.95 -58.56 3 3 1 48 211.31 1 ↓
Hi High (pH 8-9.5) 0.36 2.67 -7.82 2 3 0 46 210.302 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-methyl-5-(5-methyl-2-thienyl)pyrrolidin-2-one (4S,5S)-4-amino-1-methyl-5-(5-me…

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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) 0.36 3.26 -57.25 3 3 1 48 211.31 1 ↓
Hi High (pH 8-9.5) 0.36 2.97 -9.17 2 3 0 46 210.302 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-methyl-5-(5-methyl-2-thienyl)pyrrolidin-2-one (4S,5R)-4-amino-1-methyl-5-(5-me…

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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) 0.36 3.2 -48.2 3 3 1 48 211.31 1 ↓
Hi High (pH 8-9.5) 0.36 2.92 -9 2 3 0 46 210.302 1 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-ethyl-5-(3-methyl-2-thienyl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(3-met…

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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) 0.89 4.13 -51.95 3 3 1 48 225.337 2 ↓
Hi High (pH 8-9.5) 0.89 3.84 -7.62 2 3 0 46 224.329 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(3-methyl-2-thienyl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(3-met…

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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) 0.89 3.66 -57.88 3 3 1 48 225.337 2 ↓
Hi High (pH 8-9.5) 0.89 3.37 -7.71 2 3 0 46 224.329 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(3-methyl-2-thienyl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(3-met…

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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) 0.89 3.94 -56.66 3 3 1 48 225.337 2 ↓
Hi High (pH 8-9.5) 0.89 3.64 -8.88 2 3 0 46 224.329 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(3-methyl-2-thienyl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(3-met…

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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) 0.89 3.89 -48.07 3 3 1 48 225.337 2 ↓
Hi High (pH 8-9.5) 0.89 3.62 -8.74 2 3 0 46 224.329 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-ethyl-5-(5-ethyl-2-thienyl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(5-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) 1.31 5.06 -53.45 3 3 1 48 239.364 3 ↓
Hi High (pH 8-9.5) 1.31 4.78 -7.59 2 3 0 46 238.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(5-ethyl-2-thienyl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(5-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) 1.31 4.72 -58.54 3 3 1 48 239.364 3 ↓
Hi High (pH 8-9.5) 1.31 4.44 -7.48 2 3 0 46 238.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(5-ethyl-2-thienyl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(5-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) 1.31 4.9 -57.46 3 3 1 48 239.364 3 ↓
Hi High (pH 8-9.5) 1.31 4.61 -8.69 2 3 0 46 238.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(5-ethyl-2-thienyl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(5-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) 1.31 4.97 -48.29 3 3 1 48 239.364 3 ↓
Hi High (pH 8-9.5) 1.31 4.69 -8.68 2 3 0 46 238.356 3 ↓

Parameters Provided:

ring.id = 26303
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 = 26303 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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