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Analogs

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Popular Name: (4R,5R)-4-amino-5-(2-methoxy-1-naphthyl)-1-methyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(2-methoxy-1-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) 1.41 5.53 -49.74 3 4 1 57 271.34 2 ↓
Hi High (pH 8-9.5) 1.41 5.24 -8.49 2 4 0 56 270.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(2-methoxy-1-naphthyl)-1-methyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(2-methoxy-1-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) 1.41 5.4 -55.93 3 4 1 57 271.34 2 ↓
Hi High (pH 8-9.5) 1.41 5.12 -9.32 2 4 0 56 270.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(2-methoxy-1-naphthyl)-1-methyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(2-methoxy-1-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) 1.41 5.35 -55.05 3 4 1 57 271.34 2 ↓
Hi High (pH 8-9.5) 1.41 5.06 -9.72 2 4 0 56 270.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(2-methoxy-1-naphthyl)-1-methyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(2-methoxy-1-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) 1.41 6.1 -46.07 3 4 1 57 271.34 2 ↓
Hi High (pH 8-9.5) 1.41 5.79 -9.23 2 4 0 56 270.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-methyl-5-(1-naphthyl)pyrrolidin-2-one (4R,5R)-4-amino-1-methyl-5-(1-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) 1.40 6.25 -51.51 3 3 1 48 241.314 1 ↓
Hi High (pH 8-9.5) 1.40 6.02 -7.51 2 3 0 46 240.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-methyl-5-(1-naphthyl)pyrrolidin-2-one (4R,5S)-4-amino-1-methyl-5-(1-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) 1.40 5.47 -58.04 3 3 1 48 241.314 1 ↓
Hi High (pH 8-9.5) 1.40 5.21 -8.35 2 3 0 46 240.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-methyl-5-(1-naphthyl)pyrrolidin-2-one (4S,5R)-4-amino-1-methyl-5-(1-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) 1.40 6 -59.47 3 3 1 48 241.314 1 ↓
Hi High (pH 8-9.5) 1.40 5.71 -8.84 2 3 0 46 240.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-methyl-5-(1-naphthyl)pyrrolidin-2-one (4S,5S)-4-amino-1-methyl-5-(1-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) 1.40 5.49 -50.04 3 3 1 48 241.314 1 ↓
Hi High (pH 8-9.5) 1.40 5.2 -8.74 2 3 0 46 240.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(2-methoxy-1-naphthyl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(2-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) 1.78 6.52 -49.76 3 4 1 57 285.367 3 ↓
Hi High (pH 8-9.5) 1.78 6.22 -8.35 2 4 0 56 284.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-ethyl-5-(2-methoxy-1-naphthyl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(2-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) 1.78 6.3 -55.62 3 4 1 57 285.367 3 ↓
Hi High (pH 8-9.5) 1.78 6.01 -9.1 2 4 0 56 284.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(2-methoxy-1-naphthyl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(2-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) 1.78 6.34 -55.01 3 4 1 57 285.367 3 ↓
Hi High (pH 8-9.5) 1.78 6.05 -9.72 2 4 0 56 284.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(2-methoxy-1-naphthyl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(2-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) 1.78 6.82 -45.55 3 4 1 57 285.367 3 ↓
Hi High (pH 8-9.5) 1.78 6.7 -9.05 2 4 0 56 284.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(1-naphthyl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(1-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) 1.78 7.2 -51.46 3 3 1 48 255.341 2 ↓
Hi High (pH 8-9.5) 1.78 6.98 -7.36 2 3 0 46 254.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-ethyl-5-(1-naphthyl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(1-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) 1.78 6.38 -57.96 3 3 1 48 255.341 2 ↓
Hi High (pH 8-9.5) 1.78 6.1 -8.06 2 3 0 46 254.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(1-naphthyl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(1-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) 1.78 6.96 -59.37 3 3 1 48 255.341 2 ↓
Hi High (pH 8-9.5) 1.78 6.67 -8.79 2 3 0 46 254.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(1-naphthyl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(1-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) 1.78 6.48 -50.15 3 3 1 48 255.341 2 ↓
Hi High (pH 8-9.5) 1.78 6.21 -8.53 2 3 0 46 254.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-5-(1-naphthyl)-1-propyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(1-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) 2.28 7.96 -51.63 3 3 1 48 269.368 3 ↓
Hi High (pH 8-9.5) 2.28 7.74 -7.22 2 3 0 46 268.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(1-naphthyl)-1-propyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(1-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) 2.28 7.13 -58.15 3 3 1 48 269.368 3 ↓
Hi High (pH 8-9.5) 2.28 6.86 -7.91 2 3 0 46 268.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(1-naphthyl)-1-propyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(1-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) 2.28 7.72 -59.83 3 3 1 48 269.368 3 ↓
Hi High (pH 8-9.5) 2.28 7.42 -8.68 2 3 0 46 268.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(1-naphthyl)-1-propyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(1-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) 2.28 7.24 -50.2 3 3 1 48 269.368 3 ↓
Hi High (pH 8-9.5) 2.28 6.96 -8.48 2 3 0 46 268.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-isopropyl-5-(1-naphthyl)pyrrolidin-2-one (4R,5R)-4-amino-1-isopropyl-5-(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) 2.07 7.52 -51.02 3 3 1 48 269.368 2 ↓
Hi High (pH 8-9.5) 2.07 7.3 -6.82 2 3 0 46 268.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isopropyl-5-(1-naphthyl)pyrrolidin-2-one (4R,5S)-4-amino-1-isopropyl-5-(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) 2.07 6.81 -57.58 3 3 1 48 269.368 2 ↓
Hi High (pH 8-9.5) 2.07 6.93 -6.67 2 3 0 46 268.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isopropyl-5-(1-naphthyl)pyrrolidin-2-one (4S,5R)-4-amino-1-isopropyl-5-(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) 2.07 7.27 -59.35 3 3 1 48 269.368 2 ↓
Hi High (pH 8-9.5) 2.07 6.98 -8.22 2 3 0 46 268.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isopropyl-5-(1-naphthyl)pyrrolidin-2-one (4S,5S)-4-amino-1-isopropyl-5-(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) 2.07 7.41 -51.36 3 3 1 48 269.368 2 ↓
Hi High (pH 8-9.5) 2.07 6.7 -7.74 2 3 0 46 268.36 2 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-tert-butyl-5-(1-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) 2.59 7.71 -50.12 3 3 1 48 283.395 2 ↓
Hi High (pH 8-9.5) 2.59 7.44 -6.26 2 3 0 46 282.387 2 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-tert-butyl-5-(1-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) 2.59 7.41 -58.33 3 3 1 48 283.395 2 ↓
Hi High (pH 8-9.5) 2.59 6.39 -7.24 2 3 0 46 282.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-tert-butyl-5-(1-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) 2.59 7.47 -58.36 3 3 1 48 283.395 2 ↓
Hi High (pH 8-9.5) 2.59 7.17 -7.57 2 3 0 46 282.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-tert-butyl-5-(1-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) 2.59 7.58 -50.52 3 3 1 48 283.395 2 ↓
Hi High (pH 8-9.5) 2.59 6.75 -7.57 2 3 0 46 282.387 2 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-isobutyl-5-(1-naphthyl)pyrrolidin-2-one (4R,5R)-4-amino-1-isobutyl-5-(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) 2.52 8.52 -51.22 3 3 1 48 283.395 3 ↓
Hi High (pH 8-9.5) 2.52 8.29 -6.68 2 3 0 46 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isobutyl-5-(1-naphthyl)pyrrolidin-2-one (4R,5S)-4-amino-1-isobutyl-5-(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) 2.52 7.81 -58.24 3 3 1 48 283.395 3 ↓
Hi High (pH 8-9.5) 2.52 7.52 -7.82 2 3 0 46 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isobutyl-5-(1-naphthyl)pyrrolidin-2-one (4S,5R)-4-amino-1-isobutyl-5-(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) 2.52 8.27 -59.89 3 3 1 48 283.395 3 ↓
Hi High (pH 8-9.5) 2.52 7.98 -7.99 2 3 0 46 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isobutyl-5-(1-naphthyl)pyrrolidin-2-one (4S,5S)-4-amino-1-isobutyl-5-(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) 2.52 7.89 -50.34 3 3 1 48 283.395 3 ↓
Hi High (pH 8-9.5) 2.52 7.62 -8.23 2 3 0 46 282.387 3 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-(2-methoxyethyl)-5-(1-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) 1.38 6.37 -47.97 3 4 1 57 285.367 4 ↓
Hi High (pH 8-9.5) 1.38 6.14 -7 2 4 0 56 284.359 4 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-(2-methoxyethyl)-5-(1-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) 1.38 5.46 -59.28 3 4 1 57 285.367 4 ↓
Hi High (pH 8-9.5) 1.38 5.17 -9.89 2 4 0 56 284.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-(2-methoxyethyl)-5-(1-naphthyl)pyrrolidin-2-one (4S,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) 1.38 6.12 -54.41 3 4 1 57 285.367 4 ↓
Hi High (pH 8-9.5) 1.38 5.83 -8.43 2 4 0 56 284.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-(2-methoxyethyl)-5-(1-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) 1.38 5.56 -51.82 3 4 1 57 285.367 4 ↓
Hi High (pH 8-9.5) 1.38 5.3 -10.39 2 4 0 56 284.359 4 ↓

Parameters Provided:

ring.id = 531259
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 = 531259 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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