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Analogs

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Popular Name: (2S,3R)-1-(2-methoxyethyl)-2-(6-methoxy-2-naphthyl)-5-oxo-pyrrolidine-3-carboxylic (2S,3R)-1-(2-methoxyethyl)-2-(6-…

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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) 2.19 8.09 -44.66 0 6 -1 79 342.371 6 ↓
Lo Low (pH 4.5-6) 2.19 6.28 -13.16 1 6 0 76 343.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-(2-methoxyethyl)-2-(6-methoxy-2-naphthyl)-5-oxo-pyrrolidine-3-carboxylic (2R,3R)-1-(2-methoxyethyl)-2-(6-…

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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) 2.19 8.06 -47.84 0 6 -1 79 342.371 6 ↓
Lo Low (pH 4.5-6) 2.19 6.06 -12.84 1 6 0 76 343.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-(2-methoxyethyl)-2-(6-methoxy-2-naphthyl)-5-oxo-pyrrolidine-3-carboxylic (2S,3S)-1-(2-methoxyethyl)-2-(6-…

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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) 2.19 8.33 -49.69 0 6 -1 79 342.371 6 ↓
Lo Low (pH 4.5-6) 2.19 6.38 -12.62 1 6 0 76 343.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-(2-methoxyethyl)-2-(6-methoxy-2-naphthyl)-5-oxo-pyrrolidine-3-carboxylic (2R,3S)-1-(2-methoxyethyl)-2-(6-…

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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) 2.19 8.04 -54.55 0 6 -1 79 342.371 6 ↓
Lo Low (pH 4.5-6) 2.19 6.08 -19.31 1 6 0 76 343.379 6 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-5-(6-methoxy-2-naphthyl)-1-methyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(6-methoxy-2-n…

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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) 1.46 5.08 -59.59 3 4 1 57 271.34 2 ↓
Hi High (pH 8-9.5) 1.46 4.79 -10.09 2 4 0 56 270.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(6-methoxy-2-naphthyl)-1-methyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(6-methoxy-2-n…

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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) 1.46 4.83 -65.59 3 4 1 57 271.34 2 ↓
Hi High (pH 8-9.5) 1.46 4.54 -10.23 2 4 0 56 270.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(6-methoxy-2-naphthyl)-1-methyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(6-methoxy-2-n…

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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) 1.46 4.93 -63.19 3 4 1 57 271.34 2 ↓
Hi High (pH 8-9.5) 1.46 4.65 -11.71 2 4 0 56 270.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(6-methoxy-2-naphthyl)-1-methyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(6-methoxy-2-n…

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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) 1.46 5.09 -54.78 3 4 1 57 271.34 2 ↓
Hi High (pH 8-9.5) 1.46 4.82 -11.64 2 4 0 56 270.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.42 5.78 -55.85 3 3 1 48 241.314 1 ↓
Hi High (pH 8-9.5) 1.42 5.5 -8.11 2 3 0 46 240.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.42 5.54 -61.53 3 3 1 48 241.314 1 ↓
Hi High (pH 8-9.5) 1.42 5.25 -8.36 2 3 0 46 240.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.42 5.64 -59.37 3 3 1 48 241.314 1 ↓
Hi High (pH 8-9.5) 1.42 5.35 -9.54 2 3 0 46 240.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.42 5.79 -51.83 3 3 1 48 241.314 1 ↓
Hi High (pH 8-9.5) 1.42 5.53 -9.38 2 3 0 46 240.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(6-methoxy-2-naphthyl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(6-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) 1.83 6.06 -59.79 3 4 1 57 285.367 3 ↓
Hi High (pH 8-9.5) 1.83 5.78 -9.98 2 4 0 56 284.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-ethyl-5-(6-methoxy-2-naphthyl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(6-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) 1.83 5.68 -64.55 3 4 1 57 285.367 3 ↓
Hi High (pH 8-9.5) 1.83 5.39 -10.11 2 4 0 56 284.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(6-methoxy-2-naphthyl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(6-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) 1.83 5.92 -63.35 3 4 1 57 285.367 3 ↓
Hi High (pH 8-9.5) 1.83 5.63 -11.73 2 4 0 56 284.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(6-methoxy-2-naphthyl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(6-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) 1.83 6.03 -54.85 3 4 1 57 285.367 3 ↓
Hi High (pH 8-9.5) 1.83 5.78 -11.38 2 4 0 56 284.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(2-naphthyl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(2-nap…

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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) 1.80 6.77 -56.02 3 3 1 48 255.341 2 ↓
Hi High (pH 8-9.5) 1.80 6.48 -7.97 2 3 0 46 254.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-ethyl-5-(2-naphthyl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(2-nap…

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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) 1.80 6.39 -60.7 3 3 1 48 255.341 2 ↓
Hi High (pH 8-9.5) 1.80 6.1 -8.23 2 3 0 46 254.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(2-naphthyl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(2-nap…

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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) 1.80 6.62 -59.48 3 3 1 48 255.341 2 ↓
Hi High (pH 8-9.5) 1.80 6.34 -9.51 2 3 0 46 254.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(2-naphthyl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(2-nap…

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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) 1.80 6.73 -51.92 3 3 1 48 255.341 2 ↓
Hi High (pH 8-9.5) 1.80 6.47 -9.08 2 3 0 46 254.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-5-(2-naphthyl)-1-propyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(2-naphthyl)-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) 2.30 7.53 -56.22 3 3 1 48 269.368 3 ↓
Hi High (pH 8-9.5) 2.30 7.24 -7.85 2 3 0 46 268.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(2-naphthyl)-1-propyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(2-naphthyl)-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) 2.30 7.15 -60.94 3 3 1 48 269.368 3 ↓
Hi High (pH 8-9.5) 2.30 6.86 -8.11 2 3 0 46 268.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(2-naphthyl)-1-propyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(2-naphthyl)-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) 2.30 7.38 -59.99 3 3 1 48 269.368 3 ↓
Hi High (pH 8-9.5) 2.30 7.1 -9.37 2 3 0 46 268.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(2-naphthyl)-1-propyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(2-naphthyl)-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) 2.30 7.49 -52.05 3 3 1 48 269.368 3 ↓
Hi High (pH 8-9.5) 2.30 7.23 -9.07 2 3 0 46 268.36 3 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-isopropyl-5-(2-naphthyl)pyrrolidin-2-one (4R,5R)-4-amino-1-isopropyl-5-(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) 2.10 7.3 -55.61 3 3 1 48 269.368 2 ↓
Hi High (pH 8-9.5) 2.10 7.03 -7.42 2 3 0 46 268.36 2 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-isopropyl-5-(2-naphthyl)pyrrolidin-2-one (4R,5S)-4-amino-1-isopropyl-5-(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) 2.10 6.86 -60.87 3 3 1 48 269.368 2 ↓
Hi High (pH 8-9.5) 2.10 6.84 -7.42 2 3 0 46 268.36 2 ↓

Analogs

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Popular Name: (4S,5R)-4-amino-1-isopropyl-5-(2-naphthyl)pyrrolidin-2-one (4S,5R)-4-amino-1-isopropyl-5-(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) 2.10 7.15 -59.6 3 3 1 48 269.368 2 ↓
Hi High (pH 8-9.5) 2.10 6.86 -8.87 2 3 0 46 268.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isopropyl-5-(2-naphthyl)pyrrolidin-2-one (4S,5S)-4-amino-1-isopropyl-5-(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) 2.10 7.27 -55.63 3 3 1 48 269.368 2 ↓
Hi High (pH 8-9.5) 2.10 6.84 -8.47 2 3 0 46 268.36 2 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-tert-butyl-5-(2-naphthyl)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) 2.61 7.5 -55.04 3 3 1 48 283.395 2 ↓
Hi High (pH 8-9.5) 2.61 7.19 -6.97 2 3 0 46 282.387 2 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-tert-butyl-5-(2-naphthyl)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) 2.61 7.35 -59.05 3 3 1 48 283.395 2 ↓
Hi High (pH 8-9.5) 2.61 6.53 -7.49 2 3 0 46 282.387 2 ↓

Analogs

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Popular Name: (4S,5R)-4-amino-1-tert-butyl-5-(2-naphthyl)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) 2.61 7.36 -58.96 3 3 1 48 283.395 2 ↓
Hi High (pH 8-9.5) 2.61 7.04 -8.41 2 3 0 46 282.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-tert-butyl-5-(2-naphthyl)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) 2.61 7.48 -55.1 3 3 1 48 283.395 2 ↓
Hi High (pH 8-9.5) 2.61 6.94 -8.31 2 3 0 46 282.387 2 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-isobutyl-5-(2-naphthyl)pyrrolidin-2-one (4R,5R)-4-amino-1-isobutyl-5-(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) 2.55 8.07 -56.34 3 3 1 48 283.395 3 ↓
Hi High (pH 8-9.5) 2.55 7.78 -7.71 2 3 0 46 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isobutyl-5-(2-naphthyl)pyrrolidin-2-one (4R,5S)-4-amino-1-isobutyl-5-(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) 2.55 7.79 -60.58 3 3 1 48 283.395 3 ↓
Hi High (pH 8-9.5) 2.55 7.5 -7.58 2 3 0 46 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isobutyl-5-(2-naphthyl)pyrrolidin-2-one (4S,5R)-4-amino-1-isobutyl-5-(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) 2.55 7.93 -59.74 3 3 1 48 283.395 3 ↓
Hi High (pH 8-9.5) 2.55 7.64 -9.3 2 3 0 46 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isobutyl-5-(2-naphthyl)pyrrolidin-2-one (4S,5S)-4-amino-1-isobutyl-5-(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) 2.55 8.15 -51.66 3 3 1 48 283.395 3 ↓
Hi High (pH 8-9.5) 2.55 7.89 -8.41 2 3 0 46 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-(2-methoxyethyl)-5-(2-naphthyl)pyrrolidin-2-one (4R,5R)-4-amino-1-(2-methoxyethy…

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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) 1.41 5.92 -52.22 3 4 1 57 285.367 4 ↓
Hi High (pH 8-9.5) 1.41 5.64 -7.36 2 4 0 56 284.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-(2-methoxyethyl)-5-(2-naphthyl)pyrrolidin-2-one (4R,5S)-4-amino-1-(2-methoxyethy…

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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) 1.41 5.47 -62.49 3 4 1 57 285.367 4 ↓
Hi High (pH 8-9.5) 1.41 5.18 -10.17 2 4 0 56 284.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-(2-methoxyethyl)-5-(2-naphthyl)pyrrolidin-2-one (4S,5R)-4-amino-1-(2-methoxyethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.41 5.78 -54.41 3 4 1 57 285.367 4 ↓
Hi High (pH 8-9.5) 1.41 5.49 -8.78 2 4 0 56 284.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-(2-methoxyethyl)-5-(2-naphthyl)pyrrolidin-2-one (4S,5S)-4-amino-1-(2-methoxyethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.41 5.85 -53.73 3 4 1 57 285.367 4 ↓
Hi High (pH 8-9.5) 1.41 5.58 -11.11 2 4 0 56 284.359 4 ↓

Parameters Provided:

ring.id = 355996
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 = 355996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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