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Popular Name: 4-methyl-1-[(3S)-1-[(1R)-1-methylpropyl]-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic 4-methyl-1-[(3S)-1-[(1R)-1-methy…

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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) 0.60 8.07 -65.31 1 6 0 82 296.367 4 ↓
Hi High (pH 8-9.5) 0.60 5.68 -48.83 0 6 -1 81 295.359 4 ↓

Analogs

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Popular Name: 4-methyl-1-[(3S)-1-[(1S)-1-methylpropyl]-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic 4-methyl-1-[(3S)-1-[(1S)-1-methy…

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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) 0.60 8.07 -65.18 1 6 0 82 296.367 4 ↓
Hi High (pH 8-9.5) 0.60 5.89 -51.64 0 6 -1 81 295.359 4 ↓

Analogs

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Popular Name: 1-[(3S)-2,5-dioxo-1-propyl-pyrrolidin-3-yl]-4-methyl-piperidine-4-carboxylic 1-[(3S)-2,5-dioxo-1-propyl-pyrro…

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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) 0.28 7.21 -66.39 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.28 4.81 -49.26 0 6 -1 81 281.332 4 ↓

Analogs

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Popular Name: 1-[(3S)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]-4-methyl-piperidine-4-carboxylic 1-[(3S)-1-isopropyl-2,5-dioxo-py…

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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) 0.07 7 -65.64 1 6 0 82 282.34 3 ↓
Hi High (pH 8-9.5) 0.07 4.61 -49.1 0 6 -1 81 281.332 3 ↓

Analogs

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Popular Name: 4-methyl-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic 4-methyl-1-[(3R)-1-methyl-2,5-di…

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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) -0.60 5.46 -67.14 1 6 0 82 254.286 2 ↓
Hi High (pH 8-9.5) -0.60 3.06 -49.76 0 6 -1 81 253.278 2 ↓

Analogs

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Popular Name: 1-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]-4-methyl-piperidine-4-carboxylic 1-[(3S)-1-ethyl-2,5-dioxo-pyrrol…

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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) -0.23 6.45 -66.36 1 6 0 82 268.313 3 ↓
Hi High (pH 8-9.5) -0.23 4.06 -49.37 0 6 -1 81 267.305 3 ↓

Analogs

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Popular Name: 1-[(3S)-2,5-dioxo-1-propyl-pyrrolidin-3-yl]-4-ethyl-piperidine-4-carboxylic 1-[(3S)-2,5-dioxo-1-propyl-pyrro…

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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) 0.61 7.77 -68.18 1 6 0 82 296.367 5 ↓
Hi High (pH 8-9.5) 0.61 5.58 -52.98 0 6 -1 81 295.359 5 ↓

Analogs

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Popular Name: 4-ethyl-1-[(3R)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic 4-ethyl-1-[(3R)-1-isopropyl-2,5-…

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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) 0.40 7.48 -45.06 1 6 0 82 296.367 4 ↓
Hi High (pH 8-9.5) 0.40 5.06 -50.73 0 6 -1 81 295.359 4 ↓

Analogs

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Popular Name: 4-ethyl-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic 4-ethyl-1-[(3R)-1-methyl-2,5-dio…

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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 5.94 -66.31 1 6 0 82 268.313 3 ↓
Hi High (pH 8-9.5) -0.27 3.76 -51.39 0 6 -1 81 267.305 3 ↓

Analogs

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Popular Name: 4-ethyl-1-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic 4-ethyl-1-[(3R)-1-ethyl-2,5-diox…

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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) 0.11 6.92 -45.79 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.11 4.48 -50.66 0 6 -1 81 281.332 4 ↓

Analogs

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Popular Name: 1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]-4-propyl-piperidine-4-carboxylic 1-[(3R)-1-methyl-2,5-dioxo-pyrro…

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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) 0.29 6.71 -66.56 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.29 4.52 -51.88 0 6 -1 81 281.332 4 ↓

Analogs

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Popular Name: 1-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]-4-propyl-piperidine-4-carboxylic 1-[(3R)-1-ethyl-2,5-dioxo-pyrrol…

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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) 0.67 7.68 -45.7 1 6 0 82 296.367 5 ↓
Hi High (pH 8-9.5) 0.67 5.24 -51.09 0 6 -1 81 295.359 5 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(3S)-1-[(1R)-1-methylpropyl]-2,5-dioxo-pyrrolidin-3-yl]piperidine-3-carboxylic (3R)-3-methyl-1-[(3S)-1-[(1R)-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) 0.60 8.27 -62.66 1 6 0 82 296.367 4 ↓
Hi High (pH 8-9.5) 0.60 6.44 -55.3 0 6 -1 81 295.359 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(3S)-1-[(1S)-1-methylpropyl]-2,5-dioxo-pyrrolidin-3-yl]piperidine-3-carboxylic (3R)-3-methyl-1-[(3S)-1-[(1S)-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) 0.60 8.27 -62.61 1 6 0 82 296.367 4 ↓
Hi High (pH 8-9.5) 0.60 6.44 -55.45 0 6 -1 81 295.359 4 ↓

Analogs

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Popular Name: (3R)-1-[(3S)-2,5-dioxo-1-propyl-pyrrolidin-3-yl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(3S)-2,5-dioxo-1-propyl-…

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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) 0.28 7.41 -63.76 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.28 5.58 -55.55 0 6 -1 81 281.332 4 ↓

Analogs

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Popular Name: (3R)-1-[(3S)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(3S)-1-isopropyl-2,5-dio…

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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) 0.07 7.2 -63.09 1 6 0 82 282.34 3 ↓
Hi High (pH 8-9.5) 0.07 5.37 -55.53 0 6 -1 81 281.332 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-3-carboxylic (3S)-3-methyl-1-[(3R)-1-methyl-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) -0.60 5.66 -64.25 1 6 0 82 254.286 2 ↓
Hi High (pH 8-9.5) -0.60 3.84 -55.79 0 6 -1 81 253.278 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-3-carboxylic (3R)-3-methyl-1-[(3R)-1-methyl-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) -0.60 5.62 -49.86 1 6 0 82 254.286 2 ↓
Hi High (pH 8-9.5) -0.60 3.57 -53.49 0 6 -1 81 253.278 2 ↓

Analogs

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Popular Name: (3R)-1-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(3S)-1-ethyl-2,5-dioxo-p…

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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) -0.23 6.65 -63.78 1 6 0 82 268.313 3 ↓
Hi High (pH 8-9.5) -0.23 4.82 -55.66 0 6 -1 81 267.305 3 ↓

Analogs

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Popular Name: (3R)-1-[(3S)-2,5-dioxo-1-propyl-pyrrolidin-3-yl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[(3S)-2,5-dioxo-1-propyl-…

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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) 0.61 7.96 -64.87 1 6 0 82 296.367 5 ↓
Hi High (pH 8-9.5) 0.61 6.14 -56.56 0 6 -1 81 295.359 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(3R)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(3R)-1-isopropyl…

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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) 0.40 7.68 -62.04 1 6 0 82 296.367 4 ↓
Hi High (pH 8-9.5) 0.40 5.87 -54.76 0 6 -1 81 295.359 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(3R)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(3R)-1-isopropyl…

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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) 0.40 7.65 -47.52 1 6 0 82 296.367 4 ↓
Hi High (pH 8-9.5) 0.40 5.59 -52.44 0 6 -1 81 295.359 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(3R)-1-methyl-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) -0.27 6.14 -63.21 1 6 0 82 268.313 3 ↓
Hi High (pH 8-9.5) -0.27 4.32 -54.98 0 6 -1 81 267.305 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(3R)-1-methyl-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) -0.27 6.1 -48.62 1 6 0 82 268.313 3 ↓
Hi High (pH 8-9.5) -0.27 4.03 -52.72 0 6 -1 81 267.305 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(3R)-1-ethyl-2,5…

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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) 0.11 7.13 -62.75 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.11 5.31 -54.89 0 6 -1 81 281.332 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(3R)-1-ethyl-2,5…

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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) 0.11 7.07 -48.2 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.11 5.02 -52.58 0 6 -1 81 281.332 4 ↓

Analogs

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Popular Name: (3S)-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]-3-propyl-piperidine-3-carboxylic (3S)-1-[(3R)-1-methyl-2,5-dioxo-…

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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) 0.29 6.96 -43.83 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.29 5.16 -42.92 0 6 -1 81 281.332 4 ↓

Analogs

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Popular Name: (3R)-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]-3-propyl-piperidine-3-carboxylic (3R)-1-[(3R)-1-methyl-2,5-dioxo-…

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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) 0.29 6.86 -48.64 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.29 4.8 -53.34 0 6 -1 81 281.332 4 ↓

Analogs

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Popular Name: (3S)-1-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]-3-propyl-piperidine-3-carboxylic (3S)-1-[(3R)-1-ethyl-2,5-dioxo-p…

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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) 0.67 7.89 -62.91 1 6 0 82 296.367 5 ↓
Hi High (pH 8-9.5) 0.67 6.07 -55.5 0 6 -1 81 295.359 5 ↓

Analogs

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Popular Name: (3R)-1-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]-3-propyl-piperidine-3-carboxylic (3R)-1-[(3R)-1-ethyl-2,5-dioxo-p…

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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) 0.67 8 -50.05 1 6 0 82 296.367 5 ↓
Hi High (pH 8-9.5) 0.67 6.39 -54.02 0 6 -1 81 295.359 5 ↓

Analogs

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Popular Name: (3R)-3-[(3R,4R)-3-amino-4-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(3R,4R)-3-amino-4-methyl…

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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) -1.37 -1.35 -42.07 4 5 1 77 212.273 1 ↓
Hi High (pH 8-9.5) -1.18 -3.88 -51.09 3 5 0 83 211.265 1 ↓

Analogs

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Popular Name: (3R)-3-[(3R,4S)-3-amino-4-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(3R,4S)-3-amino-4-methyl…

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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) -1.37 -2.2 -48.55 4 5 1 77 212.273 1 ↓
Hi High (pH 8-9.5) -1.18 -4.76 -65.23 3 5 0 83 211.265 1 ↓

Analogs

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Popular Name: (3R)-3-[(2S)-2-(2-aminoethyl)-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2S)-2-(2-aminoethyl)-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) -1.14 -1.67 -57.77 4 5 1 77 226.3 3 ↓
Hi High (pH 8-9.5) -0.96 -3.77 -68.85 3 5 0 83 225.292 3 ↓

Analogs

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Popular Name: (3R)-3-[(2R)-2-(2-aminoethyl)-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2R)-2-(2-aminoethyl)-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) -1.14 -1.56 -51.56 4 5 1 77 226.3 3 ↓
Hi High (pH 8-9.5) -0.96 -4.11 -69.32 3 5 0 83 225.292 3 ↓

Analogs

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Popular Name: (3R)-3-[(2R,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2R,6R)-2-(aminomethyl)-…

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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) -1.08 -0.99 -57.28 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -0.90 -3.56 -68.72 3 5 0 83 225.292 2 ↓

Analogs

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Popular Name: (3R)-3-[(2R,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2R,6S)-2-(aminomethyl)-…

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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) -1.08 -1.86 -60.54 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -0.90 -4.4 -72.63 3 5 0 83 225.292 2 ↓

Analogs

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Popular Name: (3R)-3-[(2S,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2S,6R)-2-(aminomethyl)-…

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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) -1.08 -2.44 -61.2 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -0.90 -4.98 -74.93 3 5 0 83 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2S,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2S,6S)-2-(aminomethyl)-…

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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) -1.08 -0.76 -51.56 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -0.90 -3.31 -61.6 3 5 0 83 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3R)-3-(2-aminoethyl)-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(3R)-3-(2-aminoethyl)-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) -1.26 -1.25 -47.5 4 5 1 77 226.3 3 ↓
Hi High (pH 8-9.5) -1.08 -3.78 -69.84 3 5 0 83 225.292 3 ↓
Mid Mid (pH 6-8) -1.08 -1.6 -86.67 4 5 1 85 226.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3S)-3-(2-aminoethyl)-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(3S)-3-(2-aminoethyl)-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) -1.26 -1.48 -49.46 4 5 1 77 226.3 3 ↓
Hi High (pH 8-9.5) -1.08 -4.04 -73.6 3 5 0 83 225.292 3 ↓
Mid Mid (pH 6-8) -1.08 -1.6 -93.09 4 5 1 85 226.3 3 ↓

Analogs

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Popular Name: (3R)-3-[(3R)-3-[(1S)-1-aminoethyl]-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(3R)-3-[(1S)-1-aminoethy…

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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) -1.13 -1.55 -49.47 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -0.95 -4.1 -67.14 3 5 0 83 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3R)-3-[(1R)-1-aminoethyl]-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(3R)-3-[(1R)-1-aminoethy…

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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) -1.13 -1.44 -44.38 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -0.95 -3.99 -59.57 3 5 0 83 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3S)-3-[(1S)-1-aminoethyl]-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(3S)-3-[(1S)-1-aminoethy…

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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) -1.13 -1.21 -47.13 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -0.95 -3.74 -64.71 3 5 0 83 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3S)-3-[(1R)-1-aminoethyl]-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(3S)-3-[(1R)-1-aminoethy…

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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) -1.13 -1.31 -42.22 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -0.95 -3.85 -54.81 3 5 0 83 225.292 2 ↓

Analogs

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Popular Name: (3R)-3-[(2S,3R)-2-(aminomethyl)-3-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2S,3R)-2-(aminomethyl)-…

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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) -1.17 -1.48 -61.14 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -0.98 -4 -74.82 3 5 0 83 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2S,3S)-2-(aminomethyl)-3-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2S,3S)-2-(aminomethyl)-…

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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) -1.17 -1.16 -53.01 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -0.98 -3.69 -63.6 3 5 0 83 225.292 2 ↓

Analogs

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Popular Name: (3R)-3-[(2R,5R)-5-(aminomethyl)-2-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2R,5R)-5-(aminomethyl)-…

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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) -1.20 -1.59 -47.82 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -1.02 -4.14 -68.7 3 5 0 83 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2S,5R)-5-(aminomethyl)-2-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2S,5R)-5-(aminomethyl)-…

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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) -1.20 -1.56 -50.47 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -1.02 -4.1 -67.52 3 5 0 83 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R,5S)-5-(aminomethyl)-2-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2R,5S)-5-(aminomethyl)-…

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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) -1.20 -1.66 -49.31 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -1.02 -4.17 -66.11 3 5 0 83 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2S,5S)-5-(aminomethyl)-2-methyl-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(2S,5S)-5-(aminomethyl)-…

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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) -1.20 -1.61 -55.05 4 5 1 77 226.3 2 ↓
Hi High (pH 8-9.5) -1.02 -4.13 -76.37 3 5 0 83 225.292 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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