UCSF
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Popular Name: ethyl 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) 2.25 8.02 -37.92 2 5 1 60 297.419 6 ↓
Mid Mid (pH 6-8) 2.25 6.21 -14.44 1 5 0 59 296.411 6 ↓

Analogs

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Popular Name: ethyl 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) 2.25 7.69 -31.56 2 5 1 60 297.419 6 ↓
Mid Mid (pH 6-8) 2.25 5.55 -7.56 1 5 0 59 296.411 6 ↓

Analogs

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Popular Name: ethyl 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) 2.23 9.16 -37.77 1 5 1 51 297.419 6 ↓
Mid Mid (pH 6-8) 2.23 7.37 -15.05 0 5 0 50 296.411 6 ↓

Analogs

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Popular Name: ethyl 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) 2.23 8.83 -30.72 1 5 1 51 297.419 6 ↓
Mid Mid (pH 6-8) 2.23 6.71 -7.92 0 5 0 50 296.411 6 ↓

Analogs

40177311
40177311
40177312
40177312
40177313
40177313
40177314
40177314

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Popular Name: (2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-pyrrolidin-1-yl-propanamide (2R)-N-[(1S,2R,3R)-2,3-dimethylc…

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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) 2.57 7.33 -32.13 2 3 1 34 253.41 3 ↓
Hi High (pH 8-9.5) 2.57 4.96 -7 1 3 0 32 252.402 3 ↓

Analogs

40177311
40177311
40177312
40177312
40177313
40177313
40177314
40177314

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-pyrrolidin-1-yl-propanamide (2R)-N-[(1S,2R,3S)-2,3-dimethylc…

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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) 2.57 8.13 -32.26 2 3 1 34 253.41 3 ↓
Hi High (pH 8-9.5) 2.57 5.75 -6.43 1 3 0 32 252.402 3 ↓

Analogs

40177311
40177311
40177312
40177312
40177313
40177313
40177314
40177314

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-pyrrolidin-1-yl-propanamide (2R)-N-[(1R,2R,3R)-2,3-dimethylc…

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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) 2.57 7.5 -32.22 2 3 1 34 253.41 3 ↓
Hi High (pH 8-9.5) 2.57 5.13 -6.97 1 3 0 32 252.402 3 ↓

Analogs

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Popular Name: (2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-pyrrolidin-1-yl-propanamide (2R)-N-[(1R,2R,3S)-2,3-dimethylc…

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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) 2.57 7.72 -32.25 2 3 1 34 253.41 3 ↓
Hi High (pH 8-9.5) 2.57 5.35 -7.11 1 3 0 32 252.402 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-[[(1S,2R)-2-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) 2.09 8.13 -46.17 2 5 0 74 282.384 4 ↓
Hi High (pH 8-9.5) 2.09 5.69 -46.79 1 5 -1 72 281.376 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-[[(1S,2S)-2-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) 2.09 7.73 -46.51 2 5 0 74 282.384 4 ↓
Hi High (pH 8-9.5) 2.09 5.31 -47.36 1 5 -1 72 281.376 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-[[(1R,2R)-2-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) 2.09 7.73 -46.54 2 5 0 74 282.384 4 ↓
Hi High (pH 8-9.5) 2.09 5.32 -47.29 1 5 -1 72 281.376 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-[[(1R,2S)-2-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) 2.09 8.13 -46.19 2 5 0 74 282.384 4 ↓
Hi High (pH 8-9.5) 2.09 5.71 -46.87 1 5 -1 72 281.376 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-[methyl-(4-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) 1.36 9.24 -50.19 1 5 0 65 296.411 4 ↓
Hi High (pH 8-9.5) 1.36 6.86 -54.54 0 5 -1 64 295.403 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-[methyl-(4-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) 1.36 9.26 -45.41 1 5 0 65 296.411 4 ↓
Hi High (pH 8-9.5) 1.36 6.82 -47.58 0 5 -1 64 295.403 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-[(4-methylcyc…

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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) 1.62 7.48 -51.09 2 5 0 74 282.384 4 ↓
Hi High (pH 8-9.5) 1.62 5.09 -54.26 1 5 -1 72 281.376 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-[(4-methylcyc…

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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) 1.62 7.9 -45.83 2 5 0 74 282.384 4 ↓
Hi High (pH 8-9.5) 1.62 5.46 -46.76 1 5 -1 72 281.376 4 ↓

Analogs

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Popular Name: (3S)-1-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-[cyclohexyl(methyl)ami…

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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 8.63 -50.02 1 5 0 65 282.384 4 ↓
Hi High (pH 8-9.5) 1.59 6.23 -54.81 0 5 -1 64 281.376 4 ↓

Analogs

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Popular Name: (3R)-1-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[cyclohexyl(methyl)ami…

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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 8.61 -49.33 1 5 0 65 282.384 4 ↓
Hi High (pH 8-9.5) 1.59 6.21 -54.05 0 5 -1 64 281.376 4 ↓

Analogs

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Popular Name: (3R)-1-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[[(1S,2R,3R)-2,3-dimet…

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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) 2.33 7.81 -46.35 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.33 5.38 -47.07 1 5 -1 72 295.403 4 ↓

Analogs

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Popular Name: (3R)-1-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[[(1S,2R,3S)-2,3-dimet…

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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) 2.33 8.6 -46.07 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.33 6.18 -46.61 1 5 -1 72 295.403 4 ↓

Analogs

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Popular Name: (3R)-1-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[[(1R,2R,3R)-2,3-dimet…

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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) 2.33 7.98 -46.39 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.33 5.55 -47.27 1 5 -1 72 295.403 4 ↓

Analogs

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Popular Name: (3R)-1-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[[(1R,2R,3S)-2,3-dimet…

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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) 2.33 8.2 -46.51 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.33 5.78 -47.16 1 5 -1 72 295.403 4 ↓

Analogs

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Popular Name: (3S)-1-[2-(cyclohexylamino)-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-(cyclohexylamino)-2-ox…

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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 6.88 -46.91 2 5 0 74 268.357 4 ↓
Hi High (pH 8-9.5) 1.85 4.41 -47.57 1 5 -1 72 267.349 4 ↓

Analogs

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Popular Name: (3R)-1-[2-(cyclohexylamino)-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-(cyclohexylamino)-2-ox…

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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 6.84 -50.02 2 5 0 74 268.357 4 ↓
Hi High (pH 8-9.5) 1.85 4.44 -53.73 1 5 -1 72 267.349 4 ↓

Analogs

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Popular Name: (3R)-1-[2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[cyclohexyl(ethyl)amin…

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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) 1.97 9.61 -48.57 1 5 0 65 296.411 5 ↓
Hi High (pH 8-9.5) 1.97 7.22 -53.77 0 5 -1 64 295.403 5 ↓

Analogs

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Popular Name: (3S)-1-[2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-[cyclohexyl(ethyl)amin…

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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) 1.97 9.61 -44.39 1 5 0 65 296.411 5 ↓
Hi High (pH 8-9.5) 1.97 7.18 -47.42 0 5 -1 64 295.403 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[2-[[(1R,2S)-2-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) 2.42 8.64 -48.35 2 5 0 74 296.411 5 ↓
Hi High (pH 8-9.5) 2.42 6.16 -55.07 1 5 -1 72 295.403 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[2-[[(1R,2S)-2-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) 2.42 8.59 -44.75 2 5 0 74 296.411 5 ↓
Hi High (pH 8-9.5) 2.42 6.11 -45.78 1 5 -1 72 295.403 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[2-[(4-methylcycl…

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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) 1.95 8.4 -48.24 2 5 0 74 296.411 5 ↓
Hi High (pH 8-9.5) 1.95 5.93 -54.78 1 5 -1 72 295.403 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[2-[(4-methylcycl…

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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) 1.95 8.35 -44.87 2 5 0 74 296.411 5 ↓
Hi High (pH 8-9.5) 1.95 5.88 -45.9 1 5 -1 72 295.403 5 ↓

Analogs

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Popular Name: (3S)-1-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-[cyclohexyl(methyl)ami…

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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) 1.93 9.14 -48.32 1 5 0 65 296.411 5 ↓
Hi High (pH 8-9.5) 1.93 6.67 -56.52 0 5 -1 64 295.403 5 ↓

Analogs

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Popular Name: (3R)-1-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-[cyclohexyl(methyl)ami…

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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) 1.93 9.09 -44.27 1 5 0 65 296.411 5 ↓
Hi High (pH 8-9.5) 1.93 6.62 -46.63 0 5 -1 64 295.403 5 ↓

Analogs

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Popular Name: (3S)-1-[2-(cyclohexylamino)-2-oxo-ethyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-(cyclohexylamino)-2-ox…

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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) 2.18 7.38 -49.09 2 5 0 74 282.384 5 ↓
Hi High (pH 8-9.5) 2.18 4.91 -56.15 1 5 -1 72 281.376 5 ↓

Analogs

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Popular Name: (3R)-1-[2-(cyclohexylamino)-2-oxo-ethyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-(cyclohexylamino)-2-ox…

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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) 2.18 7.33 -45.19 2 5 0 74 282.384 5 ↓
Hi High (pH 8-9.5) 2.18 4.85 -46.38 1 5 -1 72 281.376 5 ↓

Analogs

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Popular Name: (3S)-1-[2-(cyclohexylamino)-2-oxo-ethyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[2-(cyclohexylamino)-2-ox…

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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) 2.74 8.15 -48.99 2 5 0 74 296.411 6 ↓
Hi High (pH 8-9.5) 2.74 5.66 -56.6 1 5 -1 72 295.403 6 ↓

Analogs

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Popular Name: (3R)-1-[2-(cyclohexylamino)-2-oxo-ethyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[2-(cyclohexylamino)-2-ox…

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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) 2.74 8.1 -45.13 2 5 0 74 296.411 6 ↓
Hi High (pH 8-9.5) 2.74 5.61 -46.77 1 5 -1 72 295.403 6 ↓

Analogs

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Popular Name: (2R)-1-[2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide (2R)-1-[2-[cyclohexyl(ethyl)amin…

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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) 1.66 4.87 -32.58 3 5 1 68 282.408 5 ↓
Hi High (pH 8-9.5) 1.66 2.73 -9.58 2 5 0 67 281.4 5 ↓

Analogs

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Popular Name: (2S)-1-[2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide (2S)-1-[2-[cyclohexyl(ethyl)amin…

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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) 1.66 5.32 -39.4 3 5 1 68 282.408 5 ↓
Hi High (pH 8-9.5) 1.66 3.49 -16.96 2 5 0 67 281.4 5 ↓

Analogs

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Popular Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxy-ethyl]pyrrolidin-1-yl]aceta N-(1-cyanocyclohexyl)-N-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) 2.12 6.13 -37.84 1 5 0 72 347.381 5 ↓
Hi High (pH 8-9.5) 2.12 5.38 -60.07 0 5 -1 70 346.373 5 ↓
Mid Mid (pH 6-8) 2.12 5.58 -48.42 2 5 1 69 348.389 5 ↓

Analogs

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Popular Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxy-ethyl]pyrrolidin-1-yl]aceta N-(1-cyanocyclohexyl)-N-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) 2.12 6.39 -41.47 1 5 0 72 347.381 5 ↓
Hi High (pH 8-9.5) 2.12 4.95 -54.76 0 5 -1 70 346.373 5 ↓
Mid Mid (pH 6-8) 2.12 5.88 -47.22 2 5 1 69 348.389 5 ↓

Analogs

37983773
37983773
37983774
37983774

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Popular Name: (2R)-N-methyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[2-[(4-methylcyc…

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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) 1.12 4.63 -33.07 3 5 1 63 282.408 4 ↓
Hi High (pH 8-9.5) 1.12 2.48 -9.46 2 5 0 61 281.4 4 ↓

Analogs

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Popular Name: (2S)-N-methyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide (2S)-N-methyl-1-[2-[(4-methylcyc…

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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) 1.12 4.73 -41.07 3 5 1 63 282.408 4 ↓
Hi High (pH 8-9.5) 1.12 2.92 -18.35 2 5 0 61 281.4 4 ↓

Analogs

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Popular Name: (2R)-N-methyl-1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[2-[[(1S,2R)-2-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) 1.59 4.87 -33.05 3 5 1 63 282.408 4 ↓
Hi High (pH 8-9.5) 1.59 2.72 -9.5 2 5 0 61 281.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[2-[[(1S,2S)-2-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) 1.59 4.47 -33.31 3 5 1 63 282.408 4 ↓
Hi High (pH 8-9.5) 1.59 2.32 -9.86 2 5 0 61 281.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[2-[[(1R,2R)-2-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) 1.59 5.05 -39.61 3 5 1 63 282.408 4 ↓
Hi High (pH 8-9.5) 1.59 3.03 -16.71 2 5 0 61 281.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[2-[[(1R,2S)-2-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) 1.59 4.87 -33 3 5 1 63 282.408 4 ↓
Hi High (pH 8-9.5) 1.59 2.72 -9.48 2 5 0 61 281.4 4 ↓

Parameters Provided:

ring.id = 9352
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 = 9352 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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