UCSF
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Popular Name: (3S)-1-(2-cyclohexylacetyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(2-cyclohexylacetyl)-3-me…

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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) 2.40 7.89 -52 0 4 -1 60 252.334 3 ↓

Analogs

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Popular Name: (3R)-1-(2-cyclohexylacetyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(2-cyclohexylacetyl)-3-me…

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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) 2.40 7.97 -55.08 0 4 -1 60 252.334 3 ↓

Analogs

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Popular Name: (3S)-1-(2-cyclohexylacetyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(2-cyclohexylacetyl)-3-et…

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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) 2.73 8.56 -46.78 0 4 -1 60 266.361 4 ↓

Analogs

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Popular Name: (3R)-1-(2-cyclohexylacetyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(2-cyclohexylacetyl)-3-et…

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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) 2.73 8.47 -54.12 0 4 -1 60 266.361 4 ↓

Analogs

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Popular Name: (3S)-1-(2-cyclohexylacetyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(2-cyclohexylacetyl)-3-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) 3.29 9.33 -47.17 0 4 -1 60 280.388 5 ↓

Analogs

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Popular Name: (3R)-1-(2-cyclohexylacetyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(2-cyclohexylacetyl)-3-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) 3.29 9.22 -54.5 0 4 -1 60 280.388 5 ↓

Analogs

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Popular Name: 1-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(3R)-3-(dimethylamino)pyrr…

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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) 1.32 8.91 -79.4 1 5 0 65 282.384 4 ↓
Hi High (pH 8-9.5) 1.32 6.5 -61.34 0 5 -1 64 281.376 4 ↓
Lo Low (pH 4.5-6) 1.32 6.74 -48.01 2 5 1 62 283.392 4 ↓

Analogs

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Popular Name: 1-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(3S)-3-(dimethylamino)pyrr…

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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) 1.32 9.02 -77.97 1 5 0 65 282.384 4 ↓
Hi High (pH 8-9.5) 1.32 6.61 -60.49 0 5 -1 64 281.376 4 ↓
Lo Low (pH 4.5-6) 1.32 7.02 -47.56 2 5 1 62 283.392 4 ↓

Analogs

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Popular Name: 2-[1-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxo-ethyl]cyclohexyl]acetic 2-[1-[2-[(3R)-3-(dimethylamino)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) 1.59 8.7 -66.01 1 5 0 65 296.411 5 ↓
Hi High (pH 8-9.5) 1.59 6.3 -44.42 0 5 -1 64 295.403 5 ↓
Lo Low (pH 4.5-6) 1.59 6.72 -41.36 2 5 1 62 297.419 5 ↓

Analogs

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Popular Name: 2-[1-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxo-ethyl]cyclohexyl]acetic 2-[1-[2-[(3S)-3-(dimethylamino)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) 1.59 8.72 -67.64 1 5 0 65 296.411 5 ↓
Hi High (pH 8-9.5) 1.59 6.31 -49.89 0 5 -1 64 295.403 5 ↓
Lo Low (pH 4.5-6) 1.59 6.74 -40.4 2 5 1 62 297.419 5 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 2-[(1S,2S)-2-aminocyclohexyl]-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) 0.73 5.13 -97.79 4 4 2 52 255.406 3 ↓
Hi High (pH 8-9.5) 0.73 2.74 -52.71 3 4 1 51 254.398 3 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 2-[(1S,2S)-2-aminocyclohexyl]-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) 0.73 5.13 -98.23 4 4 2 52 255.406 3 ↓
Hi High (pH 8-9.5) 0.73 2.72 -52.99 3 4 1 51 254.398 3 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 2-[(1R,2S)-2-aminocyclohexyl]-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) 0.73 5.33 -99.64 4 4 2 52 255.406 3 ↓
Hi High (pH 8-9.5) 0.73 2.94 -54.19 3 4 1 51 254.398 3 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 2-[(1R,2S)-2-aminocyclohexyl]-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) 0.73 5.33 -99.24 4 4 2 52 255.406 3 ↓
Hi High (pH 8-9.5) 0.73 2.92 -53.84 3 4 1 51 254.398 3 ↓

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 2-(4-aminocyclohexyl)-1-[(3R)-3-…

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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) 0.44 5.08 -97.15 4 4 2 52 255.406 3 ↓
Hi High (pH 8-9.5) 0.44 2.67 -52.09 3 4 1 51 254.398 3 ↓

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 2-(4-aminocyclohexyl)-1-[(3S)-3-…

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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) 0.44 5.31 -87.34 4 4 2 52 255.406 3 ↓
Hi High (pH 8-9.5) 0.44 2.91 -45.68 3 4 1 51 254.398 3 ↓

Analogs

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Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 2-[(1R,3S)-3-aminocyclohexyl]-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) 0.68 5.31 -92.28 4 4 2 52 255.406 3 ↓
Hi High (pH 8-9.5) 0.68 2.9 -50.86 3 4 1 51 254.398 3 ↓

Analogs

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Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 2-[(1R,3S)-3-aminocyclohexyl]-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) 0.68 5.3 -92.45 4 4 2 52 255.406 3 ↓
Hi High (pH 8-9.5) 0.68 2.9 -50.87 3 4 1 51 254.398 3 ↓

Analogs

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Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 2-[(1S,3S)-3-aminocyclohexyl]-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) 0.68 5.48 -88.61 4 4 2 52 255.406 3 ↓
Hi High (pH 8-9.5) 0.68 3.07 -45.25 3 4 1 51 254.398 3 ↓

Analogs

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Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 2-[(1S,3S)-3-aminocyclohexyl]-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) 0.68 5.48 -88.22 4 4 2 52 255.406 3 ↓
Hi High (pH 8-9.5) 0.68 3.07 -45.04 3 4 1 51 254.398 3 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-[(3R)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-[(1S,2S)-2-aminocyclohexyl]-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) 1.48 6.16 -96.67 4 4 2 52 283.46 5 ↓
Hi High (pH 8-9.5) 1.48 4.07 -52.71 3 4 1 51 282.452 5 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-[(1S,2S)-2-aminocyclohexyl]-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) 1.48 6.13 -97.04 4 4 2 52 283.46 5 ↓
Hi High (pH 8-9.5) 1.48 3.99 -52.59 3 4 1 51 282.452 5 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-[(3R)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-[(1R,2S)-2-aminocyclohexyl]-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) 1.48 6.36 -98.41 4 4 2 52 283.46 5 ↓
Hi High (pH 8-9.5) 1.48 4.27 -53.84 3 4 1 51 282.452 5 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-[(1R,2S)-2-aminocyclohexyl]-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) 1.48 6.33 -98.12 4 4 2 52 283.46 5 ↓
Hi High (pH 8-9.5) 1.48 4.19 -53.33 3 4 1 51 282.452 5 ↓

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-1-[(3R)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-(4-aminocyclohexyl)-1-[(3R)-3-…

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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 6.37 -85.76 4 4 2 52 283.46 5 ↓
Hi High (pH 8-9.5) 1.20 4.34 -45.34 3 4 1 51 282.452 5 ↓

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-(4-aminocyclohexyl)-1-[(3S)-3-…

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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 6.35 -85.65 4 4 2 52 283.46 5 ↓
Hi High (pH 8-9.5) 1.20 4.2 -45.39 3 4 1 51 282.452 5 ↓

Analogs

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Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-[(3R)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-[(1R,3S)-3-aminocyclohexyl]-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) 1.43 6.36 -90.68 4 4 2 52 283.46 5 ↓
Hi High (pH 8-9.5) 1.43 4.24 -50.69 3 4 1 51 282.452 5 ↓

Analogs

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Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-[(1R,3S)-3-aminocyclohexyl]-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) 1.43 6.34 -90.85 4 4 2 52 283.46 5 ↓
Hi High (pH 8-9.5) 1.43 4.16 -50.45 3 4 1 51 282.452 5 ↓

Analogs

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Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-[(3R)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-[(1S,3S)-3-aminocyclohexyl]-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) 1.43 6.53 -86.98 4 4 2 52 283.46 5 ↓
Hi High (pH 8-9.5) 1.43 4.42 -44.94 3 4 1 51 282.452 5 ↓

Analogs

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Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-[(1S,3S)-3-aminocyclohexyl]-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) 1.43 6.52 -86.71 4 4 2 52 283.46 5 ↓
Hi High (pH 8-9.5) 1.43 4.34 -44.59 3 4 1 51 282.452 5 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-[(2R)-2-ethylpyrrolidin-1-yl]ethanone 2-[(1S,2S)-2-aminocyclohexyl]-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) 1.85 5.43 -51.45 3 3 1 48 239.383 3 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-[(2S)-2-ethylpyrrolidin-1-yl]ethanone 2-[(1S,2S)-2-aminocyclohexyl]-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) 1.85 5.42 -51.68 3 3 1 48 239.383 3 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-[(2R)-2-ethylpyrrolidin-1-yl]ethanone 2-[(1R,2S)-2-aminocyclohexyl]-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) 1.85 5.64 -52.6 3 3 1 48 239.383 3 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-[(2S)-2-ethylpyrrolidin-1-yl]ethanone 2-[(1R,2S)-2-aminocyclohexyl]-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) 1.85 5.62 -52.54 3 3 1 48 239.383 3 ↓

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]ethanone 2-(4-aminocyclohexyl)-1-[(2R)-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) 1.56 5.37 -50.75 3 3 1 48 239.383 3 ↓

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-1-[(2S)-2-ethylpyrrolidin-1-yl]ethanone 2-(4-aminocyclohexyl)-1-[(2S)-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) 1.56 5.37 -50.83 3 3 1 48 239.383 3 ↓

Analogs

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Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-[(2R)-2-ethylpyrrolidin-1-yl]ethanone 2-[(1R,3S)-3-aminocyclohexyl]-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) 1.80 5.59 -49.73 3 3 1 48 239.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-[(2S)-2-ethylpyrrolidin-1-yl]ethanone 2-[(1R,3S)-3-aminocyclohexyl]-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) 1.80 5.59 -49.85 3 3 1 48 239.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-[(2R)-2-ethylpyrrolidin-1-yl]ethanone 2-[(1S,3S)-3-aminocyclohexyl]-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) 1.80 5.77 -44.06 3 3 1 48 239.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-[(2S)-2-ethylpyrrolidin-1-yl]ethanone 2-[(1S,3S)-3-aminocyclohexyl]-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) 1.80 5.77 -44.12 3 3 1 48 239.383 3 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone 2-[(1S,2S)-2-aminocyclohexyl]-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) 1.31 4.75 -51.42 3 3 1 48 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-[(2S)-2-methylpyrrolidin-1-yl]ethanone 2-[(1S,2S)-2-aminocyclohexyl]-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) 1.31 4.72 -51.28 3 3 1 48 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone 2-[(1R,2S)-2-aminocyclohexyl]-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) 1.31 4.96 -52.73 3 3 1 48 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-[(2S)-2-methylpyrrolidin-1-yl]ethanone 2-[(1R,2S)-2-aminocyclohexyl]-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) 1.31 4.93 -52.77 3 3 1 48 225.356 2 ↓

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone 2-(4-aminocyclohexyl)-1-[(2R)-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) 1.03 4.93 -44.96 3 3 1 48 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminocyclohexyl)-1-[(2S)-2-methylpyrrolidin-1-yl]ethanone 2-(4-aminocyclohexyl)-1-[(2S)-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) 1.03 4.66 -51.02 3 3 1 48 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone 2-[(1R,3S)-3-aminocyclohexyl]-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 4.92 -49.86 3 3 1 48 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-[(2S)-2-methylpyrrolidin-1-yl]ethanone 2-[(1R,3S)-3-aminocyclohexyl]-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 4.89 -49.74 3 3 1 48 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone 2-[(1S,3S)-3-aminocyclohexyl]-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 5.1 -44.25 3 3 1 48 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-[(2S)-2-methylpyrrolidin-1-yl]ethanone 2-[(1S,3S)-3-aminocyclohexyl]-1-…

Find On: PubMed — Wikipedia — Google

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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 5.07 -44.24 3 3 1 48 225.356 2 ↓

Parameters Provided:

ring.id = 307162
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 = 307162 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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