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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.61 1.85 -31.04 3 5 1 72 206.273 2 ↓
Hi High (pH 8-9.5) -0.61 1.38 -13.66 2 5 0 71 205.265 2 ↓
Lo Low (pH 4.5-6) -0.61 2.11 -96.71 4 5 2 74 207.281 2 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.61 2.62 -32.9 3 5 1 72 206.273 2 ↓
Hi High (pH 8-9.5) -0.61 1.36 -15.34 2 5 0 71 205.265 2 ↓
Lo Low (pH 4.5-6) -0.61 2.1 -96.47 4 5 2 74 207.281 2 ↓

Analogs

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Popular Name: (2R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)propanenitrile (2R)-3-(6,8-dihydro-5H-imidazo[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) -0.23 3.59 -33.63 2 5 1 58 220.3 3 ↓
Hi High (pH 8-9.5) -0.23 3.13 -13.97 1 5 0 57 219.292 3 ↓
Lo Low (pH 4.5-6) -0.23 3.82 -91.68 3 5 2 63 221.308 3 ↓

Analogs

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Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)propanenitrile (2S)-3-(6,8-dihydro-5H-imidazo[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) -0.23 2.5 -29.37 2 5 1 58 220.3 3 ↓
Hi High (pH 8-9.5) -0.23 2.04 -13.83 1 5 0 57 219.292 3 ↓
Lo Low (pH 4.5-6) -0.23 3.75 -91.59 3 5 2 63 221.308 3 ↓

Analogs

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Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methyl-propanenitrile (2S)-3-(6,8-dihydro-5H-imidazo[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) 0.14 2.99 -29.88 2 5 1 58 234.327 4 ↓
Hi High (pH 8-9.5) 0.14 2.52 -16.81 1 5 0 57 233.319 4 ↓
Lo Low (pH 4.5-6) 0.14 4.58 -90.38 3 5 2 63 235.335 4 ↓

Analogs

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Popular Name: (2R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methyl-propanenitrile (2R)-3-(6,8-dihydro-5H-imidazo[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) 0.14 3.44 -29.47 2 5 1 58 234.327 4 ↓
Hi High (pH 8-9.5) 0.14 2.98 -13.69 1 5 0 57 233.319 4 ↓
Lo Low (pH 4.5-6) 0.14 4.65 -90.54 3 5 2 63 235.335 4 ↓

Analogs

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Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanenitrile (2S)-3-(6,8-dihydro-5H-imidazo[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) 0.65 3.75 -30.08 2 5 1 58 248.354 5 ↓
Hi High (pH 8-9.5) 0.65 3.29 -16.85 1 5 0 57 247.346 5 ↓
Lo Low (pH 4.5-6) 0.65 5.35 -91.98 3 5 2 63 249.362 5 ↓

Analogs

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Popular Name: (2R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanenitrile (2R)-3-(6,8-dihydro-5H-imidazo[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) 0.65 4.2 -29.53 2 5 1 58 248.354 5 ↓
Hi High (pH 8-9.5) 0.65 3.74 -13.72 1 5 0 57 247.346 5 ↓
Lo Low (pH 4.5-6) 0.65 5.42 -92.21 3 5 2 63 249.362 5 ↓

Analogs

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Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(isopropylamino)-2-methyl-propanenitrile (2S)-3-(6,8-dihydro-5H-imidazo[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) 0.44 3.5 -29.5 2 5 1 58 248.354 4 ↓
Hi High (pH 8-9.5) 0.44 3.12 -16.89 1 5 0 57 247.346 4 ↓
Lo Low (pH 4.5-6) 0.44 4.8 -90.23 3 5 2 63 249.362 4 ↓

Analogs

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Popular Name: (2R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(isopropylamino)-2-methyl-propanenitrile (2R)-3-(6,8-dihydro-5H-imidazo[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) 0.44 4.02 -29.31 2 5 1 58 248.354 4 ↓
Hi High (pH 8-9.5) 0.44 3.66 -13.47 1 5 0 57 247.346 4 ↓
Lo Low (pH 4.5-6) 0.44 5 -90.07 3 5 2 63 249.362 4 ↓

Analogs

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

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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) 0.13 5.21 -34.07 2 5 1 58 246.338 4 ↓
Hi High (pH 8-9.5) 0.13 4.75 -13.99 1 5 0 57 245.33 4 ↓
Lo Low (pH 4.5-6) 0.13 5.4 -89.88 3 5 2 63 247.346 4 ↓

Analogs

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

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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) 0.13 4.18 -29.52 2 5 1 58 246.338 4 ↓
Hi High (pH 8-9.5) 0.13 3.71 -13.34 1 5 0 57 245.33 4 ↓
Lo Low (pH 4.5-6) 0.13 5.26 -89.66 3 5 2 63 247.346 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.61 5.23 -33.85 3 5 1 72 268.344 3 ↓
Hi High (pH 8-9.5) 0.61 4.45 -16.15 2 5 0 71 267.336 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.61 4.79 -31.86 3 5 1 72 268.344 3 ↓
Hi High (pH 8-9.5) 0.61 3.91 -15.26 2 5 0 71 267.336 3 ↓

Analogs

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Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(methylamino)-2-phenyl-propanenitrile (2S)-3-(6,8-dihydro-5H-imidazo[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) 0.99 5.45 -31.29 2 5 1 58 282.371 4 ↓
Hi High (pH 8-9.5) 0.99 4.99 -13.57 1 5 0 57 281.363 4 ↓

Analogs

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Popular Name: (2R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(methylamino)-2-phenyl-propanenitrile (2R)-3-(6,8-dihydro-5H-imidazo[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) 0.99 6.14 -32.66 2 5 1 58 282.371 4 ↓
Hi High (pH 8-9.5) 0.99 5.67 -12.42 1 5 0 57 281.363 4 ↓

Analogs

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Popular Name: (2R)-2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-butanenitrile (2R)-2-amino-4-(6,8-dihydro-5H-i…

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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 2.19 -32.94 3 5 1 72 220.3 3 ↓
Hi High (pH 8-9.5) -0.34 1.73 -11.88 2 5 0 71 219.292 3 ↓
Lo Low (pH 4.5-6) -0.34 2.42 -102.53 4 5 2 74 221.308 3 ↓

Analogs

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Popular Name: (2S)-2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-butanenitrile (2S)-2-amino-4-(6,8-dihydro-5H-i…

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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 2.18 -35.92 3 5 1 72 220.3 3 ↓
Hi High (pH 8-9.5) -0.34 1.72 -13.57 2 5 0 71 219.292 3 ↓
Lo Low (pH 4.5-6) -0.34 2.44 -99.76 4 5 2 74 221.308 3 ↓

Analogs

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Popular Name: (2R)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)butanenitrile (2R)-4-(6,8-dihydro-5H-imidazo[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) 0.04 2.46 -36.33 2 5 1 58 234.327 4 ↓
Hi High (pH 8-9.5) 0.04 2 -11.25 1 5 0 57 233.319 4 ↓
Mid Mid (pH 6-8) 0.04 3.74 -96.27 3 5 2 63 235.335 4 ↓

Analogs

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Popular Name: (2S)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)butanenitrile (2S)-4-(6,8-dihydro-5H-imidazo[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) 0.04 2.47 -32.03 2 5 1 58 234.327 4 ↓
Hi High (pH 8-9.5) 0.04 2.01 -11.44 1 5 0 57 233.319 4 ↓
Mid Mid (pH 6-8) 0.04 3.75 -92.39 3 5 2 63 235.335 4 ↓

Analogs

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Popular Name: (2S)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methyl-butanenitrile (2S)-4-(6,8-dihydro-5H-imidazo[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) 0.42 3.38 -32.82 2 5 1 58 248.354 5 ↓
Hi High (pH 8-9.5) 0.42 2.91 -12.88 1 5 0 57 247.346 5 ↓
Mid Mid (pH 6-8) 0.42 4.58 -91.1 3 5 2 63 249.362 5 ↓

Analogs

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Popular Name: (2R)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methyl-butanenitrile (2R)-4-(6,8-dihydro-5H-imidazo[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) 0.42 3.37 -34.1 2 5 1 58 248.354 5 ↓
Hi High (pH 8-9.5) 0.42 2.9 -9.8 1 5 0 57 247.346 5 ↓
Mid Mid (pH 6-8) 0.42 4.58 -95.04 3 5 2 63 249.362 5 ↓

Analogs

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Popular Name: (2S)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)butanenitrile (2S)-4-(6,8-dihydro-5H-imidazo[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) 0.92 4.14 -32.93 2 5 1 58 262.381 6 ↓
Hi High (pH 8-9.5) 0.92 3.68 -12.89 1 5 0 57 261.373 6 ↓
Mid Mid (pH 6-8) 0.92 5.36 -92.69 3 5 2 63 263.389 6 ↓

Analogs

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Popular Name: (2R)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)butanenitrile (2R)-4-(6,8-dihydro-5H-imidazo[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) 0.92 4.13 -34.22 2 5 1 58 262.381 6 ↓
Hi High (pH 8-9.5) 0.92 3.67 -9.75 1 5 0 57 261.373 6 ↓
Mid Mid (pH 6-8) 0.92 5.34 -96.66 3 5 2 63 263.389 6 ↓

Analogs

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Popular Name: (2S)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(isopropylamino)-2-methyl-butanenitrile (2S)-4-(6,8-dihydro-5H-imidazo[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) 0.71 4.05 -32.77 2 5 1 58 262.381 5 ↓
Hi High (pH 8-9.5) 0.71 3.58 -12.91 1 5 0 57 261.373 5 ↓
Mid Mid (pH 6-8) 0.71 4.91 -90.55 3 5 2 63 263.389 5 ↓

Analogs

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Popular Name: (2R)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(isopropylamino)-2-methyl-butanenitrile (2R)-4-(6,8-dihydro-5H-imidazo[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) 0.71 4.06 -33.93 2 5 1 58 262.381 5 ↓
Hi High (pH 8-9.5) 0.71 3.6 -9.5 1 5 0 57 261.373 5 ↓
Mid Mid (pH 6-8) 0.71 4.91 -94.7 3 5 2 63 263.389 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-butanenitrile (2R)-2-(cyclopropylamino)-4-(6,8…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.40 4.17 -36.72 2 5 1 58 260.365 5 ↓
Hi High (pH 8-9.5) 0.40 3.71 -11.21 1 5 0 57 259.357 5 ↓
Mid Mid (pH 6-8) 0.40 5.32 -94.43 3 5 2 63 261.373 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-butanenitrile (2S)-2-(cyclopropylamino)-4-(6,8…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.40 4.15 -32.02 2 5 1 58 260.365 5 ↓
Hi High (pH 8-9.5) 0.40 3.68 -10.99 1 5 0 57 259.357 5 ↓
Mid Mid (pH 6-8) 0.40 5.27 -90.35 3 5 2 63 261.373 5 ↓

Analogs

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Popular Name: Imidazo[1,2-a]pyrazine-7(8H)-propanenitrile, a-amino-5,6-dihydro- Imidazo[1,2-a]pyrazine-7(8H)-pro…

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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 1.39 -36.24 3 5 1 72 192.246 2 ↓
Hi High (pH 8-9.5) -1.59 0.67 -11.7 2 5 0 71 191.238 2 ↓
Lo Low (pH 4.5-6) -1.59 1.8 -106.03 4 5 2 74 193.254 2 ↓

Analogs

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Popular Name: Imidazo[1,2-a]pyrazine-7(8H)-propanenitrile, a-amino-5,6-dihydro- Imidazo[1,2-a]pyrazine-7(8H)-pro…

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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 1.08 -34.48 3 5 1 72 192.246 2 ↓
Hi High (pH 8-9.5) -1.59 0.97 -10.7 2 5 0 71 191.238 2 ↓
Lo Low (pH 4.5-6) -1.59 1.84 -108.19 4 5 2 74 193.254 2 ↓

Analogs

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Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(methylamino)propanenitrile (2S)-3-(6,8-dihydro-5H-imidazo[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 2.54 -36.67 2 5 1 58 206.273 3 ↓
Hi High (pH 8-9.5) -0.68 2.07 -11.75 1 5 0 57 205.265 3 ↓
Lo Low (pH 4.5-6) -0.68 3.69 -100.27 3 5 2 63 207.281 3 ↓

Analogs

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Popular Name: (2R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(methylamino)propanenitrile (2R)-3-(6,8-dihydro-5H-imidazo[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 1.94 -34.55 2 5 1 58 206.273 3 ↓
Hi High (pH 8-9.5) -0.68 1.47 -10.34 1 5 0 57 205.265 3 ↓
Lo Low (pH 4.5-6) -0.68 3.62 -102.42 3 5 2 63 207.281 3 ↓

Analogs

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Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)propanenitrile (2S)-3-(6,8-dihydro-5H-imidazo[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) -0.30 3.46 -36.86 2 5 1 58 220.3 4 ↓
Hi High (pH 8-9.5) -0.30 3 -11.67 1 5 0 57 219.292 4 ↓
Lo Low (pH 4.5-6) -0.30 4.53 -99.47 3 5 2 63 221.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)propanenitrile (2R)-3-(6,8-dihydro-5H-imidazo[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) -0.30 2.85 -34.64 2 5 1 58 220.3 4 ↓
Hi High (pH 8-9.5) -0.30 2.39 -10.1 1 5 0 57 219.292 4 ↓
Lo Low (pH 4.5-6) -0.30 4.47 -101.77 3 5 2 63 221.308 4 ↓

Analogs

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Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(propylamino)propanenitrile (2S)-3-(6,8-dihydro-5H-imidazo[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) 0.20 4.22 -37.07 2 5 1 58 234.327 5 ↓
Hi High (pH 8-9.5) 0.20 3.77 -11.58 1 5 0 57 233.319 5 ↓
Lo Low (pH 4.5-6) 0.20 5.28 -101.28 3 5 2 63 235.335 5 ↓

Analogs

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Popular Name: (2R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(propylamino)propanenitrile (2R)-3-(6,8-dihydro-5H-imidazo[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) 0.20 3.62 -34.74 2 5 1 58 234.327 5 ↓
Hi High (pH 8-9.5) 0.20 3.15 -10.01 1 5 0 57 233.319 5 ↓
Lo Low (pH 4.5-6) 0.20 5.22 -103.51 3 5 2 63 235.335 5 ↓

Analogs

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

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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) -0.31 3.71 -33.86 2 5 1 58 232.311 4 ↓
Hi High (pH 8-9.5) -0.31 3.24 -10.87 1 5 0 57 231.303 4 ↓
Lo Low (pH 4.5-6) -0.31 5.22 -98.14 3 5 2 63 233.319 4 ↓

Analogs

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

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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) -0.31 4.24 -38.19 2 5 1 58 232.311 4 ↓
Hi High (pH 8-9.5) -0.31 3.77 -10.69 1 5 0 57 231.303 4 ↓
Lo Low (pH 4.5-6) -0.31 5.21 -100.95 3 5 2 63 233.319 4 ↓

Analogs

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

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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) -0.06 2.96 -36.38 3 5 1 72 234.327 4 ↓
Hi High (pH 8-9.5) -0.06 2.53 -10.82 2 5 0 71 233.319 4 ↓
Lo Low (pH 4.5-6) -0.06 3.23 -98.5 4 5 2 74 235.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.06 3.03 -32.99 3 5 1 72 234.327 4 ↓
Hi High (pH 8-9.5) -0.06 2.53 -11.79 2 5 0 71 233.319 4 ↓
Lo Low (pH 4.5-6) -0.06 3.27 -101.91 4 5 2 74 235.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanenitrile (2R)-5-(6,8-dihydro-5H-imidazo[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) 0.31 3.27 -31.31 2 5 1 58 248.354 5 ↓
Hi High (pH 8-9.5) 0.31 2.8 -14.8 1 5 0 57 247.346 5 ↓
Mid Mid (pH 6-8) 0.31 4.56 -86.02 3 5 2 63 249.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanenitrile (2S)-5-(6,8-dihydro-5H-imidazo[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) 0.31 3.27 -33.26 2 5 1 58 248.354 5 ↓
Hi High (pH 8-9.5) 0.31 2.8 -11.99 1 5 0 57 247.346 5 ↓
Mid Mid (pH 6-8) 0.31 4.56 -90.11 3 5 2 63 249.362 5 ↓

Analogs

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Popular Name: (2S)-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methyl-pentanenitrile (2S)-5-(6,8-dihydro-5H-imidazo[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) 0.69 4.17 -34.98 2 5 1 58 262.381 6 ↓
Hi High (pH 8-9.5) 0.69 3.71 -13.21 1 5 0 57 261.373 6 ↓
Mid Mid (pH 6-8) 0.69 5.4 -88.96 3 5 2 63 263.389 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methyl-pentanenitrile (2R)-5-(6,8-dihydro-5H-imidazo[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) 0.69 4.18 -30.06 2 5 1 58 262.381 6 ↓
Hi High (pH 8-9.5) 0.69 3.71 -12.95 1 5 0 57 261.373 6 ↓
Mid Mid (pH 6-8) 0.69 5.4 -84.8 3 5 2 63 263.389 6 ↓

Analogs

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Popular Name: (2S)-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanenitrile (2S)-5-(6,8-dihydro-5H-imidazo[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) 1.19 4.94 -35.03 2 5 1 58 276.408 7 ↓
Hi High (pH 8-9.5) 1.19 4.47 -13.25 1 5 0 57 275.4 7 ↓
Mid Mid (pH 6-8) 1.19 6.16 -90.36 3 5 2 63 277.416 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanenitrile (2R)-5-(6,8-dihydro-5H-imidazo[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) 1.19 4.94 -30.08 2 5 1 58 276.408 7 ↓
Hi High (pH 8-9.5) 1.19 4.47 -12.99 1 5 0 57 275.4 7 ↓
Mid Mid (pH 6-8) 1.19 6.15 -86.19 3 5 2 63 277.416 7 ↓

Analogs

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Popular Name: (2S)-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(isopropylamino)-2-methyl-pentanenitrile (2S)-5-(6,8-dihydro-5H-imidazo[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) 0.98 4.78 -34.92 2 5 1 58 276.408 6 ↓
Hi High (pH 8-9.5) 0.98 4.32 -13.17 1 5 0 57 275.4 6 ↓
Mid Mid (pH 6-8) 0.98 5.72 -88.49 3 5 2 63 277.416 6 ↓

Analogs

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Popular Name: (2R)-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(isopropylamino)-2-methyl-pentanenitrile (2R)-5-(6,8-dihydro-5H-imidazo[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) 0.98 4.87 -29.89 2 5 1 58 276.408 6 ↓
Hi High (pH 8-9.5) 0.98 4.41 -12.78 1 5 0 57 275.4 6 ↓
Mid Mid (pH 6-8) 0.98 5.72 -84.2 3 5 2 63 277.416 6 ↓

Analogs

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

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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 4.98 -31.54 2 5 1 58 274.392 6 ↓
Hi High (pH 8-9.5) 0.68 4.51 -14.75 1 5 0 57 273.384 6 ↓
Mid Mid (pH 6-8) 0.68 6.14 -84.07 3 5 2 63 275.4 6 ↓

Analogs

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

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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 4.94 -33.03 2 5 1 58 274.392 6 ↓
Hi High (pH 8-9.5) 0.68 4.48 -11.64 1 5 0 57 273.384 6 ↓
Mid Mid (pH 6-8) 0.68 6.08 -88.03 3 5 2 63 275.4 6 ↓

Parameters Provided:

ring.id = 97513
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 97513 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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