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Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-1-(4-propyl-1-piperidyl)propan-1-one (2R)-2-amino-2-cyclopropyl-1-(4-…

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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) 2.77 5.37 -44.42 3 3 1 48 239.383 4 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-1-(4-propyl-1-piperidyl)propan-1-one (2S)-2-amino-2-cyclopropyl-1-(4-…

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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) 2.77 5.39 -37.86 3 3 1 48 239.383 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclopropylpropanoyl]piperidine-4-carbonitrile 1-[(2S)-2-cyclopropylpropanoyl]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) 1.84 6.72 -12.28 0 3 0 44 206.289 2 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclopropylpropanoyl]piperidine-4-carbonitrile 1-[(2R)-2-cyclopropylpropanoyl]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) 1.84 6.63 -12.05 0 3 0 44 206.289 2 ↓

Analogs

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Popular Name: 1-(2-cyclopropylacetyl)piperidine-4-carboxylic 1-(2-cyclopropylacetyl)piperidin…

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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) 0.82 6.57 -48.93 0 4 -1 60 210.253 3 ↓

Analogs

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Popular Name: 1-(2-cyclopropylacetyl)-4-methyl-piperidine-4-carboxylic 1-(2-cyclopropylacetyl)-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) 1.07 6.81 -49.15 0 4 -1 60 224.28 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-propanoyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2-amino-2-cyclopropyl-pr…

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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 4.17 -76.58 3 5 0 88 254.33 3 ↓
Hi High (pH 8-9.5) 0.64 3.9 -47.53 2 5 -1 86 253.322 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-propanoyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2-amino-2-cyclopropyl-pr…

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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 4.19 -71.23 3 5 0 88 254.33 3 ↓
Hi High (pH 8-9.5) 0.64 4.77 -49.98 2 5 -1 86 253.322 3 ↓

Analogs

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Popular Name: 1-(2-cyclopropylacetyl)-4-ethyl-piperidine-4-carboxylic 1-(2-cyclopropylacetyl)-4-ethyl-…

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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 7.3 -48.83 0 4 -1 60 238.307 4 ↓

Analogs

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Popular Name: 1-(2-cyclopropylacetyl)-4-propyl-piperidine-4-carboxylic 1-(2-cyclopropylacetyl)-4-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) 1.96 8.07 -49.25 0 4 -1 60 252.334 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-propanoyl]-4-ethyl-piperidine-4-carboxylic 1-[(2R)-2-amino-2-cyclopropyl-pr…

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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) 0.98 4.65 -75.64 3 5 0 88 268.357 4 ↓
Hi High (pH 8-9.5) 0.98 4.89 -49.61 2 5 -1 86 267.349 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-propanoyl]-4-ethyl-piperidine-4-carboxylic 1-[(2S)-2-amino-2-cyclopropyl-pr…

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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) 0.98 4.67 -70.12 3 5 0 88 268.357 4 ↓
Hi High (pH 8-9.5) 0.98 4.43 -46.24 2 5 -1 86 267.349 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-propanoyl]-4-propyl-piperidine-4-carboxylic 1-[(2R)-2-amino-2-cyclopropyl-pr…

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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) 1.53 5.38 -76.81 3 5 0 88 282.384 5 ↓
Hi High (pH 8-9.5) 1.53 5.62 -49.26 2 5 -1 86 281.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-propanoyl]-4-propyl-piperidine-4-carboxylic 1-[(2S)-2-amino-2-cyclopropyl-pr…

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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) 1.53 5.44 -70.48 3 5 0 88 282.384 5 ↓
Hi High (pH 8-9.5) 1.53 5.2 -46.57 2 5 -1 86 281.376 5 ↓

Analogs

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Popular Name: (3S)-1-(2-cyclopropylacetyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(2-cyclopropylacetyl)-3-m…

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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 7.26 -54.26 0 4 -1 60 224.28 3 ↓

Analogs

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Popular Name: (3R)-1-(2-cyclopropylacetyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(2-cyclopropylacetyl)-3-m…

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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 7.23 -54.5 0 4 -1 60 224.28 3 ↓

Analogs

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Popular Name: (3S)-1-(2-cyclopropylacetyl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(2-cyclopropylacetyl)-3-e…

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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 7.76 -53.61 0 4 -1 60 238.307 4 ↓

Analogs

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Popular Name: (3R)-1-(2-cyclopropylacetyl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(2-cyclopropylacetyl)-3-e…

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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 7.69 -53.67 0 4 -1 60 238.307 4 ↓

Analogs

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Popular Name: (3S)-1-[(2R)-2-amino-2-cyclopropyl-propanoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(2R)-2-amino-2-cycloprop…

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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 4.64 -79.16 3 5 0 88 254.33 3 ↓
Hi High (pH 8-9.5) 0.64 4.71 -43.83 2 5 -1 86 253.322 3 ↓

Analogs

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Popular Name: (3R)-1-[(2R)-2-amino-2-cyclopropyl-propanoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(2R)-2-amino-2-cycloprop…

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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 4.63 -79.59 3 5 0 88 254.33 3 ↓
Hi High (pH 8-9.5) 0.64 4.82 -53.81 2 5 -1 86 253.322 3 ↓

Analogs

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Popular Name: (3S)-1-[(2S)-2-amino-2-cyclopropyl-propanoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(2S)-2-amino-2-cycloprop…

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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 4.66 -73.23 3 5 0 88 254.33 3 ↓
Hi High (pH 8-9.5) 0.64 4.41 -51.04 2 5 -1 86 253.322 3 ↓

Analogs

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Popular Name: (3R)-1-[(2S)-2-amino-2-cyclopropyl-propanoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(2S)-2-amino-2-cycloprop…

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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 4.68 -73.2 3 5 0 88 254.33 3 ↓
Hi High (pH 8-9.5) 0.64 4.44 -51.25 2 5 -1 86 253.322 3 ↓

Analogs

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Popular Name: (3S)-1-(2-cyclopropylacetyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(2-cyclopropylacetyl)-3-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) 1.96 8.51 -54.22 0 4 -1 60 252.334 5 ↓

Analogs

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Popular Name: (3R)-1-(2-cyclopropylacetyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(2-cyclopropylacetyl)-3-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) 1.96 8.46 -54.34 0 4 -1 60 252.334 5 ↓

Analogs

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Popular Name: (3S)-1-[(2R)-2-amino-2-cyclopropyl-propanoyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[(2R)-2-amino-2-cycloprop…

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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) 0.98 5.19 -72.49 3 5 0 88 268.357 4 ↓
Hi High (pH 8-9.5) 0.98 5.55 -42.91 2 5 -1 86 267.349 4 ↓

Analogs

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Popular Name: (3R)-1-[(2R)-2-amino-2-cyclopropyl-propanoyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[(2R)-2-amino-2-cycloprop…

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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) 0.98 5.09 -78.98 3 5 0 88 268.357 4 ↓
Hi High (pH 8-9.5) 0.98 5.29 -53.24 2 5 -1 86 267.349 4 ↓

Analogs

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Popular Name: (3S)-1-[(2S)-2-amino-2-cyclopropyl-propanoyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[(2S)-2-amino-2-cycloprop…

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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) 0.98 5.14 -72.37 3 5 0 88 268.357 4 ↓
Hi High (pH 8-9.5) 0.98 4.91 -50.44 2 5 -1 86 267.349 4 ↓

Analogs

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Popular Name: (3R)-1-[(2S)-2-amino-2-cyclopropyl-propanoyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[(2S)-2-amino-2-cycloprop…

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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) 0.98 5.14 -72.1 3 5 0 88 268.357 4 ↓
Hi High (pH 8-9.5) 0.98 4.9 -50.61 2 5 -1 86 267.349 4 ↓

Analogs

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Popular Name: (3S)-1-[(2R)-2-amino-2-cyclopropyl-propanoyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[(2R)-2-amino-2-cycloprop…

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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) 1.53 5.88 -78.72 3 5 0 88 282.384 5 ↓
Hi High (pH 8-9.5) 1.53 5.95 -43.31 2 5 -1 86 281.376 5 ↓

Analogs

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Popular Name: (3R)-1-[(2R)-2-amino-2-cyclopropyl-propanoyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[(2R)-2-amino-2-cycloprop…

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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) 1.53 5.85 -80.06 3 5 0 88 282.384 5 ↓
Hi High (pH 8-9.5) 1.53 6.05 -53.96 2 5 -1 86 281.376 5 ↓

Analogs

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Popular Name: (3S)-1-[(2S)-2-amino-2-cyclopropyl-propanoyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[(2S)-2-amino-2-cycloprop…

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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) 1.53 5.9 -73.24 3 5 0 88 282.384 5 ↓
Hi High (pH 8-9.5) 1.53 5.66 -51.1 2 5 -1 86 281.376 5 ↓

Analogs

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Popular Name: (3R)-1-[(2S)-2-amino-2-cyclopropyl-propanoyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[(2S)-2-amino-2-cycloprop…

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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) 1.53 5.91 -72.89 3 5 0 88 282.384 5 ↓
Hi High (pH 8-9.5) 1.53 5.67 -51.27 2 5 -1 86 281.376 5 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-1-(4-ethyl-4-methyl-1-piperidyl)propan-1-one (2R)-2-amino-2-cyclopropyl-1-(4-…

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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) 2.27 4.72 -44.33 3 3 1 48 239.383 3 ↓
Hi High (pH 8-9.5) 2.27 4.96 -6.41 2 3 0 46 238.375 3 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-1-(4-ethyl-4-methyl-1-piperidyl)propan-1-one (2S)-2-amino-2-cyclopropyl-1-(4-…

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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) 2.27 4.74 -37.84 3 3 1 48 239.383 3 ↓
Hi High (pH 8-9.5) 2.27 4.5 -5.29 2 3 0 46 238.375 3 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-1-(4,4-diethyl-1-piperidyl)propan-1-one (2R)-2-amino-2-cyclopropyl-1-(4,…

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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 5.24 -44.44 3 3 1 48 253.41 4 ↓
Hi High (pH 8-9.5) 2.61 5.48 -6.24 2 3 0 46 252.402 4 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-1-(4,4-diethyl-1-piperidyl)propan-1-one (2S)-2-amino-2-cyclopropyl-1-(4,…

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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 5.32 -37.81 3 3 1 48 253.41 4 ↓
Hi High (pH 8-9.5) 2.61 5.02 -5.27 2 3 0 46 252.402 4 ↓

Analogs

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Popular Name: 1-[(3R,4R)-3-amino-4-methyl-1-piperidyl]-2-cyclopropyl-ethanone 1-[(3R,4R)-3-amino-4-methyl-1-pi…

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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) 0.55 3.66 -45.43 3 3 1 48 197.302 2 ↓
Hi High (pH 8-9.5) 0.55 3.78 -6.97 2 3 0 46 196.294 2 ↓

Analogs

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Popular Name: 1-[(3R,4S)-3-amino-4-methyl-1-piperidyl]-2-cyclopropyl-ethanone 1-[(3R,4S)-3-amino-4-methyl-1-pi…

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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) 0.55 3.88 -45.33 3 3 1 48 197.302 2 ↓
Hi High (pH 8-9.5) 0.55 3.58 -7.65 2 3 0 46 196.294 2 ↓

Analogs

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Popular Name: 1-[(3S,4R)-3-amino-4-methyl-1-piperidyl]-2-cyclopropyl-ethanone 1-[(3S,4R)-3-amino-4-methyl-1-pi…

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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) 0.55 3.88 -45.3 3 3 1 48 197.302 2 ↓
Hi High (pH 8-9.5) 0.55 3.62 -7.78 2 3 0 46 196.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,4S)-3-amino-4-methyl-1-piperidyl]-2-cyclopropyl-ethanone 1-[(3S,4S)-3-amino-4-methyl-1-pi…

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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) 0.55 3.66 -45.39 3 3 1 48 197.302 2 ↓
Hi High (pH 8-9.5) 0.55 4 -6.63 2 3 0 46 196.294 2 ↓

Analogs

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Popular Name: 1-[(2R,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]-2-cyclopropyl-ethanone 1-[(2R,6R)-2-(aminomethyl)-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) 0.83 4.15 -39.49 3 3 1 48 211.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]-2-cyclopropyl-ethanone 1-[(2R,6S)-2-(aminomethyl)-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) 0.83 4.49 -38.88 3 3 1 48 211.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]-2-cyclopropyl-ethanone 1-[(2S,6R)-2-(aminomethyl)-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) 0.83 4.49 -38.99 3 3 1 48 211.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]-2-cyclopropyl-ethanone 1-[(2S,6S)-2-(aminomethyl)-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) 0.83 4.1 -39.99 3 3 1 48 211.329 3 ↓

Analogs

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Popular Name: 1-[(3R)-3-[(1S)-1-aminoethyl]-1-piperidyl]-2-cyclopropyl-ethanone 1-[(3R)-3-[(1S)-1-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) 0.78 4.52 -42.04 3 3 1 48 211.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-[(1R)-1-aminoethyl]-1-piperidyl]-2-cyclopropyl-ethanone 1-[(3R)-3-[(1R)-1-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) 0.78 4.62 -47.17 3 3 1 48 211.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-[(1S)-1-aminoethyl]-1-piperidyl]-2-cyclopropyl-ethanone 1-[(3S)-3-[(1S)-1-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) 0.78 4.63 -47.44 3 3 1 48 211.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-[(1R)-1-aminoethyl]-1-piperidyl]-2-cyclopropyl-ethanone 1-[(3S)-3-[(1R)-1-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) 0.78 4.52 -42.04 3 3 1 48 211.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3R)-2-(aminomethyl)-3-methyl-1-piperidyl]-2-cyclopropyl-ethanone 1-[(2S,3R)-2-(aminomethyl)-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) 0.74 4.64 -39.05 3 3 1 48 211.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-2-(aminomethyl)-3-methyl-1-piperidyl]-2-cyclopropyl-ethanone 1-[(2S,3S)-2-(aminomethyl)-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) 0.74 4.88 -32.31 3 3 1 48 211.329 3 ↓

Parameters Provided:

ring.id = 16658
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 = 16658 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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