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Popular Name: (2S)-2-cyclopropyl-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine (2S)-2-cyclopropyl-1-(6,8-dihydr…

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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) 0.48 4.29 -88.31 4 4 2 50 222.336 3 ↓
Hi High (pH 8-9.5) 0.48 3.83 -44.28 3 4 1 49 221.328 3 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine (2R)-2-cyclopropyl-1-(6,8-dihydr…

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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) 0.48 3.97 -86.82 4 4 2 50 222.336 3 ↓
Hi High (pH 8-9.5) 0.48 3.51 -48.67 3 4 1 49 221.328 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine (1R)-1-cyclopropyl-2-(6,8-dihydr…

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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) -0.50 3.69 -90.94 4 4 2 50 208.309 3 ↓
Hi High (pH 8-9.5) -0.50 3.22 -47.97 3 4 1 49 207.301 3 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine (1S)-1-cyclopropyl-2-(6,8-dihydr…

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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) -0.50 3.94 -92.81 4 4 2 50 208.309 3 ↓
Hi High (pH 8-9.5) -0.50 3.47 -45.05 3 4 1 49 207.301 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-ethanamine (1R)-1-cyclopropyl-2-(6,8-dihydr…

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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) 0.41 5.03 -86.28 3 4 2 39 222.336 4 ↓
Hi High (pH 8-9.5) 0.41 4.5 -45.59 2 4 1 38 221.328 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-ethanamine (1S)-1-cyclopropyl-2-(6,8-dihydr…

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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) 0.41 7.2 -87.83 3 4 2 39 222.336 4 ↓
Hi High (pH 8-9.5) 0.41 6.73 -41.11 2 4 1 38 221.328 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanol (1R)-1-cyclopropyl-2-(6,8-dihydr…

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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) -0.01 2.64 -28.91 2 4 1 43 208.285 3 ↓
Hi High (pH 8-9.5) -0.01 2.17 -7.96 1 4 0 41 207.277 3 ↓
Mid Mid (pH 6-8) -0.01 4.88 -103.23 3 4 2 44 209.293 3 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanol (1S)-1-cyclopropyl-2-(6,8-dihydr…

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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) -0.01 2.78 -28.25 2 4 1 43 208.285 3 ↓
Hi High (pH 8-9.5) -0.01 2.32 -9.23 1 4 0 41 207.277 3 ↓
Mid Mid (pH 6-8) -0.01 5.08 -102.77 3 4 2 44 209.293 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-ethanamine (1R)-1-cyclopropyl-2-(6,8-dihydr…

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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 5.89 -86.24 3 4 2 39 236.363 5 ↓
Hi High (pH 8-9.5) 0.78 5.42 -44.23 2 4 1 38 235.355 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-ethanamine (1S)-1-cyclopropyl-2-(6,8-dihydr…

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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 8.07 -87.17 3 4 2 39 236.363 5 ↓
Hi High (pH 8-9.5) 0.78 7.6 -39.92 2 4 1 38 235.355 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(6,8-dih…

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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) 1.28 6.64 -87.5 3 4 2 39 250.39 6 ↓
Hi High (pH 8-9.5) 1.28 6.17 -45.06 2 4 1 38 249.382 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(6,8-dih…

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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) 1.28 8.83 -88.17 3 4 2 39 250.39 6 ↓
Hi High (pH 8-9.5) 1.28 8.36 -40.75 2 4 1 38 249.382 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-(6,8-dihydr…

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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) 0.26 3.28 -30.05 2 5 1 58 246.338 4 ↓
Hi High (pH 8-9.5) 0.26 5.64 -13.83 1 5 0 57 245.33 4 ↓
Lo Low (pH 4.5-6) 0.26 7.19 -92.39 3 5 2 63 247.346 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(methylamino)propanenitrile (2R)-2-cyclopropyl-3-(6,8-dihydr…

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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) 0.26 4.64 -31.84 2 5 1 58 246.338 4 ↓
Hi High (pH 8-9.5) 0.26 4.71 -14.3 1 5 0 57 245.33 4 ↓
Lo Low (pH 4.5-6) 0.26 6.45 -91.91 3 5 2 63 247.346 4 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(isopropylamino)propanenitrile (2S)-2-cyclopropyl-3-(6,8-dihydr…

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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) 0.94 7.44 -29.19 2 5 1 58 274.392 5 ↓
Hi High (pH 8-9.5) 0.94 5.19 -13.65 1 5 0 57 273.384 5 ↓
Lo Low (pH 4.5-6) 0.94 5.95 -90.25 3 5 2 63 275.4 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(isopropylamino)propanenitrile (2R)-2-cyclopropyl-3-(6,8-dihydr…

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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) 0.94 5.65 -30.86 2 5 1 58 274.392 5 ↓
Hi High (pH 8-9.5) 0.94 6.25 -13.83 1 5 0 57 273.384 5 ↓
Lo Low (pH 4.5-6) 0.94 5.87 -89.4 3 5 2 63 275.4 5 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanenitrile (2R)-2-amino-2-cyclopropyl-3-(6,…

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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 3.58 -33.53 3 5 1 72 232.311 3 ↓
Hi High (pH 8-9.5) -0.11 2.41 -16.69 2 5 0 71 231.303 3 ↓
Lo Low (pH 4.5-6) -0.11 3.12 -97.15 4 5 2 74 233.319 3 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanenitrile (2S)-2-amino-2-cyclopropyl-3-(6,…

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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 3.54 -30.95 3 5 1 72 232.311 3 ↓
Hi High (pH 8-9.5) -0.11 2.7 -15.5 2 5 0 71 231.303 3 ↓
Lo Low (pH 4.5-6) -0.11 3.87 -96.13 4 5 2 74 233.319 3 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)propanenitrile (2S)-2-cyclopropyl-3-(6,8-dihydr…

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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 6.92 -29.53 2 5 1 58 260.365 5 ↓
Hi High (pH 8-9.5) 0.64 6.46 -14.03 1 5 0 57 259.357 5 ↓
Lo Low (pH 4.5-6) 0.64 7.87 -91.13 3 5 2 63 261.373 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)propanenitrile (2R)-2-cyclopropyl-3-(6,8-dihydr…

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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 6.09 -30.47 2 5 1 58 260.365 5 ↓
Hi High (pH 8-9.5) 0.64 5.63 -14.08 1 5 0 57 259.357 5 ↓
Lo Low (pH 4.5-6) 0.64 7.29 -90.39 3 5 2 63 261.373 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(propylamino)propanenitrile (2S)-2-cyclopropyl-3-(6,8-dihydr…

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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 7.68 -29.8 2 5 1 58 274.392 6 ↓
Hi High (pH 8-9.5) 1.14 7.21 -14.13 1 5 0 57 273.384 6 ↓
Lo Low (pH 4.5-6) 1.14 8.63 -92.19 3 5 2 63 275.4 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(propylamino)propanenitrile (2R)-2-cyclopropyl-3-(6,8-dihydr…

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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 6.86 -30.55 2 5 1 58 274.392 6 ↓
Hi High (pH 8-9.5) 1.14 6.39 -14.11 1 5 0 57 273.384 6 ↓
Lo Low (pH 4.5-6) 1.14 8.04 -92.01 3 5 2 63 275.4 6 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic (2S)-2-amino-2-cyclopropyl-3-(6,…

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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) -2.63 5.72 -87.19 4 6 1 90 251.31 4 ↓
Hi High (pH 8-9.5) -2.63 3.26 -58.7 2 6 -1 87 249.294 4 ↓
Hi High (pH 8-9.5) -2.63 4.1 -44.29 3 6 0 88 250.302 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic (2R)-2-amino-2-cyclopropyl-3-(6,…

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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) -2.63 5.81 -75.44 4 6 1 90 251.31 4 ↓
Hi High (pH 8-9.5) -2.63 3.62 -43.65 2 6 -1 87 249.294 4 ↓
Hi High (pH 8-9.5) -2.63 4.48 -48.81 3 6 0 88 250.302 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)propanoic (2R)-2-cyclopropyl-3-(6,8-dihydr…

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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) -1.88 8 -72.04 3 6 1 79 279.364 6 ↓
Hi High (pH 8-9.5) -1.88 5.36 -48.9 2 6 0 74 278.356 6 ↓
Hi High (pH 8-9.5) -1.88 6.02 -35.38 2 6 0 78 278.356 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)propanoic (2S)-2-cyclopropyl-3-(6,8-dihydr…

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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) -1.88 7.64 -79.72 3 6 1 79 279.364 6 ↓
Hi High (pH 8-9.5) -1.88 8.05 -46.48 2 6 0 78 278.356 6 ↓
Hi High (pH 8-9.5) -1.88 7.51 -41.46 2 6 0 74 278.356 6 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide (2S)-2-amino-2-cyclopropyl-3-(6,…

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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) -1.16 0.53 -101.25 6 6 2 93 251.334 4 ↓
Hi High (pH 8-9.5) -1.16 0.34 -11.02 4 6 0 90 249.318 4 ↓
Mid Mid (pH 6-8) -1.16 0.25 -37.2 5 6 1 91 250.326 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide (2R)-2-amino-2-cyclopropyl-3-(6,…

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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) -1.16 0.59 -97.08 6 6 2 93 251.334 4 ↓
Hi High (pH 8-9.5) -1.16 -0.24 -9.26 4 6 0 90 249.318 4 ↓
Mid Mid (pH 6-8) -1.16 0.59 -31.31 5 6 1 91 250.326 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(methylamino)propanoic (2R)-2-cyclopropyl-3-(6,8-dihydr…

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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) -2.26 6.88 -71.79 3 6 1 79 265.337 5 ↓
Hi High (pH 8-9.5) -2.26 5.01 -37.88 2 6 0 78 264.329 5 ↓
Hi High (pH 8-9.5) -2.26 4.47 -48.33 2 6 0 74 264.329 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(methylamino)propanoic (2S)-2-cyclopropyl-3-(6,8-dihydr…

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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) -2.26 6.98 -48.61 3 6 0 79 265.337 5 ↓
Hi High (pH 8-9.5) -2.26 6.78 -41.02 2 6 0 74 264.329 5 ↓
Hi High (pH 8-9.5) -2.26 7.33 -47.45 2 6 0 78 264.329 5 ↓

Analogs

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Popular Name: methyl 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) -0.04 4.11 -28.97 3 6 1 75 265.337 5 ↓
Hi High (pH 8-9.5) -0.04 3.64 -12.15 2 6 0 73 264.329 5 ↓
Mid Mid (pH 6-8) -0.04 4.4 -90.08 4 6 2 76 266.345 5 ↓

Analogs

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Popular Name: methyl 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) -0.04 4.6 -30.1 3 6 1 75 265.337 5 ↓
Hi High (pH 8-9.5) -0.04 4.13 -9.62 2 6 0 73 264.329 5 ↓
Mid Mid (pH 6-8) -0.04 4.45 -93.39 4 6 2 76 266.345 5 ↓

Analogs

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Popular Name: methyl 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) 0.34 5.24 -29.99 2 6 1 61 279.364 6 ↓
Hi High (pH 8-9.5) 0.34 4.77 -11.97 1 6 0 59 278.356 6 ↓
Mid Mid (pH 6-8) 0.34 6.49 -86.09 3 6 2 65 280.372 6 ↓

Analogs

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Popular Name: methyl 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) 0.34 5.93 -30.56 2 6 1 61 279.364 6 ↓
Hi High (pH 8-9.5) 0.34 5.46 -8.47 1 6 0 59 278.356 6 ↓
Mid Mid (pH 6-8) 0.34 7.96 -86.65 3 6 2 65 280.372 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) 0.34 5.04 -28.84 3 6 1 75 279.364 6 ↓
Hi High (pH 8-9.5) 0.34 5 -8.46 2 6 0 73 278.356 6 ↓
Mid Mid (pH 6-8) 0.34 5.33 -89.87 4 6 2 76 280.372 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) 0.34 5.53 -29.92 3 6 1 75 279.364 6 ↓
Hi High (pH 8-9.5) 0.34 4.61 -8.23 2 6 0 73 278.356 6 ↓
Mid Mid (pH 6-8) 0.34 5.38 -93.22 4 6 2 76 280.372 6 ↓

Analogs

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Popular Name: methyl 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) 0.72 6.13 -29.85 2 6 1 61 293.391 7 ↓
Hi High (pH 8-9.5) 0.72 5.67 -11.69 1 6 0 59 292.383 7 ↓
Mid Mid (pH 6-8) 0.72 7.32 -84.62 3 6 2 65 294.399 7 ↓

Analogs

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Popular Name: methyl 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) 0.72 6.74 -30.52 2 6 1 61 293.391 7 ↓
Hi High (pH 8-9.5) 0.72 6.27 -8.17 1 6 0 59 292.383 7 ↓
Mid Mid (pH 6-8) 0.72 8.9 -84.45 3 6 2 65 294.399 7 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)propanamide (2R)-2-cyclopropyl-3-(6,8-dihydr…

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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) -0.42 4.23 -90.35 5 6 2 82 279.388 6 ↓
Hi High (pH 8-9.5) -0.42 3.03 -31.94 4 6 1 77 278.38 6 ↓
Hi High (pH 8-9.5) -0.42 2.56 -14.23 3 6 0 76 277.372 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)propanamide (2S)-2-cyclopropyl-3-(6,8-dihydr…

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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) -0.42 2.61 -94.12 5 6 2 82 279.388 6 ↓
Hi High (pH 8-9.5) -0.42 3.04 -33.86 4 6 1 77 278.38 6 ↓
Hi High (pH 8-9.5) -0.42 2.57 -12.39 3 6 0 76 277.372 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(propylamino)propanoic (2R)-2-cyclopropyl-3-(6,8-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.38 8.76 -72.78 3 6 1 79 293.391 7 ↓
Hi High (pH 8-9.5) -1.38 6.11 -48.99 2 6 0 74 292.383 7 ↓
Hi High (pH 8-9.5) -1.38 6.78 -35.3 2 6 0 78 292.383 7 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(propylamino)propanoic (2S)-2-cyclopropyl-3-(6,8-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.38 8.4 -80.6 3 6 1 79 293.391 7 ↓
Hi High (pH 8-9.5) -1.38 8.78 -46.8 2 6 0 78 292.383 7 ↓
Hi High (pH 8-9.5) -1.38 8.26 -42.02 2 6 0 74 292.383 7 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(isopropylamino)propanoic (2R)-2-cyclopropyl-3-(6,8-dihydr…

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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) -1.58 7.64 -67.2 3 6 1 79 293.391 6 ↓
Hi High (pH 8-9.5) -1.58 5.91 -33.63 2 6 0 78 292.383 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(isopropylamino)propanoic (2S)-2-cyclopropyl-3-(6,8-dihydr…

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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) -1.58 6.63 -51.9 3 6 1 79 293.391 6 ↓
Hi High (pH 8-9.5) -1.58 6.17 -43.45 2 6 0 78 292.383 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) 0.72 7.64 -28.69 2 6 1 61 293.391 7 ↓
Hi High (pH 8-9.5) 0.72 7.17 -12.41 1 6 0 59 292.383 7 ↓
Mid Mid (pH 6-8) 0.72 8.83 -86.2 3 6 2 65 294.399 7 ↓

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) 0.72 6.49 -30.14 2 6 1 61 293.391 7 ↓
Hi High (pH 8-9.5) 0.72 6.02 -9.18 1 6 0 59 292.383 7 ↓
Mid Mid (pH 6-8) 0.72 7.43 -85.94 3 6 2 65 294.399 7 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(methylamino)propanamide (2R)-2-cyclopropyl-3-(6,8-dihydr…

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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) -0.79 3.41 -92.02 5 6 2 82 265.361 5 ↓
Hi High (pH 8-9.5) -0.79 1.64 -14.42 3 6 0 76 263.345 5 ↓
Mid Mid (pH 6-8) -0.79 2.11 -32.01 4 6 1 77 264.353 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(methylamino)propanamide (2S)-2-cyclopropyl-3-(6,8-dihydr…

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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) -0.79 1.77 -96.81 5 6 2 82 265.361 5 ↓
Hi High (pH 8-9.5) -0.79 1.77 -12.75 3 6 0 76 263.345 5 ↓
Mid Mid (pH 6-8) -0.79 2.24 -34.03 4 6 1 77 264.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(propylamino)propanamide (2R)-2-cyclopropyl-3-(6,8-dihydr…

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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) 0.09 5 -91.84 5 6 2 82 293.415 7 ↓
Hi High (pH 8-9.5) 0.09 3.32 -14.22 3 6 0 76 291.399 7 ↓
Hi High (pH 8-9.5) 0.09 3.79 -32.03 4 6 1 77 292.407 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(propylamino)propanamide (2S)-2-cyclopropyl-3-(6,8-dihydr…

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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) 0.09 3.36 -95.59 5 6 2 82 293.415 7 ↓
Hi High (pH 8-9.5) 0.09 3.33 -12.45 3 6 0 76 291.399 7 ↓
Hi High (pH 8-9.5) 0.09 3.8 -34.19 4 6 1 77 292.407 7 ↓

Parameters Provided:

ring.id = 99118
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 = 99118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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