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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: (4R,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-methyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(2,3-dihydrobe…

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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) 0.27 3.36 -57.85 3 4 1 57 233.291 1 ↓
Hi High (pH 8-9.5) 0.27 3.08 -9.22 2 4 0 56 232.283 1 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-methyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(2,3-dihydrobe…

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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) 0.27 3.1 -62.94 3 4 1 57 233.291 1 ↓
Hi High (pH 8-9.5) 0.27 2.81 -9.34 2 4 0 56 232.283 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-methyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(2,3-dihydrobe…

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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) 0.27 3.21 -61.26 3 4 1 57 233.291 1 ↓
Hi High (pH 8-9.5) 0.27 2.92 -10.79 2 4 0 56 232.283 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-methyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(2,3-dihydrobe…

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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) 0.27 3.34 -52.79 3 4 1 57 233.291 1 ↓
Hi High (pH 8-9.5) 0.27 3.09 -10.48 2 4 0 56 232.283 1 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-ethyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(2,3-dihydrobe…

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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) 0.64 4.36 -57.96 3 4 1 57 247.318 2 ↓
Hi High (pH 8-9.5) 0.64 4.06 -9.09 2 4 0 56 246.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-ethyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(2,3-dihydrobe…

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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) 0.64 3.96 -62.05 3 4 1 57 247.318 2 ↓
Hi High (pH 8-9.5) 0.64 3.67 -9.16 2 4 0 56 246.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-ethyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(2,3-dihydrobe…

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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) 0.64 4.21 -61.4 3 4 1 57 247.318 2 ↓
Hi High (pH 8-9.5) 0.64 3.92 -10.81 2 4 0 56 246.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-ethyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(2,3-dihydrobe…

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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) 0.64 4.3 -52.82 3 4 1 57 247.318 2 ↓
Hi High (pH 8-9.5) 0.64 4.05 -10.3 2 4 0 56 246.31 2 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-propyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(2,3-dihydrobe…

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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) 1.15 5.11 -58.22 3 4 1 57 261.345 3 ↓
Hi High (pH 8-9.5) 1.15 4.82 -9.01 2 4 0 56 260.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-propyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(2,3-dihydrobe…

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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) 1.15 4.71 -62.31 3 4 1 57 261.345 3 ↓
Hi High (pH 8-9.5) 1.15 4.43 -9.07 2 4 0 56 260.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-propyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(2,3-dihydrobe…

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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) 1.15 4.96 -61.91 3 4 1 57 261.345 3 ↓
Hi High (pH 8-9.5) 1.15 4.67 -10.69 2 4 0 56 260.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-propyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(2,3-dihydrobe…

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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) 1.15 5.06 -52.99 3 4 1 57 261.345 3 ↓
Hi High (pH 8-9.5) 1.15 4.8 -10.21 2 4 0 56 260.337 3 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-isopropyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(2,3-dihydrobe…

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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) 0.94 4.9 -57.56 3 4 1 57 261.345 2 ↓
Hi High (pH 8-9.5) 0.94 4.6 -8.62 2 4 0 56 260.337 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-isopropyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(2,3-dihydrobe…

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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) 0.94 4.43 -62.31 3 4 1 57 261.345 2 ↓
Hi High (pH 8-9.5) 0.94 4.44 -8.5 2 4 0 56 260.337 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-isopropyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(2,3-dihydrobe…

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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) 0.94 4.74 -61.48 3 4 1 57 261.345 2 ↓
Hi High (pH 8-9.5) 0.94 4.45 -10.13 2 4 0 56 260.337 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-isopropyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(2,3-dihydrobe…

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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) 0.94 4.88 -56.88 3 4 1 57 261.345 2 ↓
Hi High (pH 8-9.5) 0.94 4.42 -9.67 2 4 0 56 260.337 2 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-tert-butyl-5-(2,3-dihydrobenzofuran-5-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-tert-butyl-5-(…

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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) 1.45 5.11 -57.02 3 4 1 57 275.372 2 ↓
Hi High (pH 8-9.5) 1.45 4.79 -8.16 2 4 0 56 274.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-tert-butyl-5-(2,3-dihydrobenzofuran-5-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-tert-butyl-5-(…

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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) 1.45 4.94 -60.66 3 4 1 57 275.372 2 ↓
Hi High (pH 8-9.5) 1.45 4.1 -8.52 2 4 0 56 274.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-tert-butyl-5-(2,3-dihydrobenzofuran-5-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-tert-butyl-5-(…

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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) 1.45 4.95 -60.88 3 4 1 57 275.372 2 ↓
Hi High (pH 8-9.5) 1.45 4.64 -9.67 2 4 0 56 274.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-tert-butyl-5-(2,3-dihydrobenzofuran-5-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-tert-butyl-5-(…

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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) 1.45 5.09 -56.4 3 4 1 57 275.372 2 ↓
Hi High (pH 8-9.5) 1.45 4.51 -9.58 2 4 0 56 274.364 2 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(2,3-dihydrobe…

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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) 1.39 5.66 -58.27 3 4 1 57 275.372 3 ↓
Hi High (pH 8-9.5) 1.39 5.37 -8.89 2 4 0 56 274.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(2,3-dihydrobe…

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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) 1.39 5.35 -62.02 3 4 1 57 275.372 3 ↓
Hi High (pH 8-9.5) 1.39 5.07 -8.54 2 4 0 56 274.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(2,3-dihydrobe…

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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) 1.39 5.51 -61.62 3 4 1 57 275.372 3 ↓
Hi High (pH 8-9.5) 1.39 5.22 -10.6 2 4 0 56 274.364 3 ↓

Analogs

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Popular Name: (4S,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(2,3-dihydrobe…

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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) 1.39 5.71 -52.56 3 4 1 57 275.372 3 ↓
Hi High (pH 8-9.5) 1.39 5.45 -9.59 2 4 0 56 274.364 3 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (4R,5R)-4-amino-5-(2,3-dihydrobe…

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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) 0.25 3.51 -54.18 3 5 1 66 277.344 4 ↓
Hi High (pH 8-9.5) 0.25 3.23 -8.33 2 5 0 65 276.336 4 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (4R,5S)-4-amino-5-(2,3-dihydrobe…

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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) 0.25 3.05 -63.77 3 5 1 66 277.344 4 ↓
Hi High (pH 8-9.5) 0.25 2.76 -11.17 2 5 0 65 276.336 4 ↓

Analogs

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Popular Name: (4S,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (4S,5R)-4-amino-5-(2,3-dihydrobe…

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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) 0.25 3.36 -56.22 3 5 1 66 277.344 4 ↓
Hi High (pH 8-9.5) 0.25 3.07 -9.84 2 5 0 65 276.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (4S,5S)-4-amino-5-(2,3-dihydrobe…

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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) 0.25 3.42 -54.63 3 5 1 66 277.344 4 ↓
Hi High (pH 8-9.5) 0.25 3.17 -12.28 2 5 0 65 276.336 4 ↓

Parameters Provided:

ring.id = 531251
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 531251 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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