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Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-phenyl-propan-1-amine (1R)-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) -0.85 5.43 -97.69 4 4 2 50 258.369 4 ↓
Hi High (pH 8-9.5) -0.85 5.09 -30.23 3 4 1 48 257.361 4 ↓
Hi High (pH 8-9.5) -0.85 4.97 -54.73 3 4 1 49 257.361 4 ↓

Analogs

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Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-phenyl-propan-1-amine (1S)-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) -0.85 5.43 -93.71 4 4 2 50 258.369 4 ↓
Hi High (pH 8-9.5) -0.85 4.97 -55.82 3 4 1 49 257.361 4 ↓
Hi High (pH 8-9.5) -0.85 5.13 -28.03 3 4 1 48 257.361 4 ↓

Analogs

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Popular Name: (2S)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-phenyl-propan-2-amine (2S)-1-(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) 0.43 6 -95.87 4 4 2 50 258.369 4 ↓
Hi High (pH 8-9.5) 0.43 5.53 -48.65 3 4 1 49 257.361 4 ↓
Hi High (pH 8-9.5) 0.43 5.62 -29.47 3 4 1 48 257.361 4 ↓

Analogs

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Popular Name: (2R)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-phenyl-propan-2-amine (2R)-1-(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) 0.43 6.12 -95.42 4 4 2 50 258.369 4 ↓
Hi High (pH 8-9.5) 0.43 5.29 -28.15 3 4 1 48 257.361 4 ↓
Hi High (pH 8-9.5) 0.43 5.66 -50.38 3 4 1 49 257.361 4 ↓

Analogs

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Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(o-tolyl)propan-1-amine (1R)-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) -0.45 5.92 -98.6 4 4 2 50 272.396 4 ↓
Hi High (pH 8-9.5) -0.45 5.45 -55.38 3 4 1 49 271.388 4 ↓
Hi High (pH 8-9.5) -0.45 5.58 -30.44 3 4 1 48 271.388 4 ↓

Analogs

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Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(o-tolyl)propan-1-amine (1S)-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) -0.45 5.93 -95.23 4 4 2 50 272.396 4 ↓
Hi High (pH 8-9.5) -0.45 5.65 -29.09 3 4 1 48 271.388 4 ↓
Hi High (pH 8-9.5) -0.45 5.47 -56.9 3 4 1 49 271.388 4 ↓

Analogs

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Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-1-(o-tolyl)propan-1-amine (1R)-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) 0.90 7.55 -92.36 3 4 2 39 286.423 5 ↓
Hi High (pH 8-9.5) 0.90 7.09 -49.31 2 4 1 38 285.415 5 ↓

Analogs

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Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-1-(o-tolyl)propan-1-amine (1S)-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) 0.90 7.57 -89.18 3 4 2 39 286.423 5 ↓
Hi High (pH 8-9.5) 0.90 7.11 -50.51 2 4 1 38 285.415 5 ↓

Analogs

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Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-1-phenyl-propan-1-amine (1S)-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) 0.50 7.13 -88.14 3 4 2 39 272.396 5 ↓
Hi High (pH 8-9.5) 0.50 6.66 -49.91 2 4 1 38 271.388 5 ↓

Analogs

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Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-1-phenyl-propan-1-amine (1R)-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) 0.50 7.16 -91.74 3 4 2 39 272.396 5 ↓
Hi High (pH 8-9.5) 0.50 6.69 -48.8 2 4 1 38 271.388 5 ↓

Analogs

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Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-1-phenyl-propan-1-amine (1S)-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) 0.88 7.97 -87.1 3 4 2 39 286.423 6 ↓
Hi High (pH 8-9.5) 0.88 7.5 -48.14 2 4 1 38 285.415 6 ↓

Analogs

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Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-1-phenyl-propan-1-amine (1R)-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) 0.88 7.99 -90.41 3 4 2 39 286.423 6 ↓
Hi High (pH 8-9.5) 0.88 7.53 -47.18 2 4 1 38 285.415 6 ↓

Analogs

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Popular Name: (1R)-1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-amine (1R)-1-(4-bromophenyl)-3-(6,8-di…

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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 6.06 -103.81 4 4 2 50 337.265 4 ↓
Hi High (pH 8-9.5) -0.04 5.59 -59.88 3 4 1 49 336.257 4 ↓
Hi High (pH 8-9.5) -0.04 5.72 -31.58 3 4 1 48 336.257 4 ↓

Analogs

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Popular Name: (1S)-1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-amine (1S)-1-(4-bromophenyl)-3-(6,8-di…

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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 6.06 -99.94 4 4 2 50 337.265 4 ↓
Hi High (pH 8-9.5) -0.04 5.59 -60.95 3 4 1 49 336.257 4 ↓
Hi High (pH 8-9.5) -0.04 5.75 -29.47 3 4 1 48 336.257 4 ↓

Analogs

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Popular Name: (1S)-1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-propan-1-amine (1S)-1-(4-bromophenyl)-3-(6,8-di…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 7.75 -94.04 3 4 2 39 351.292 5 ↓
Hi High (pH 8-9.5) 1.31 6.65 -30.81 2 4 1 34 350.284 5 ↓
Hi High (pH 8-9.5) 1.31 7.29 -54.72 2 4 1 38 350.284 5 ↓

Analogs

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Popular Name: (1R)-1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-propan-1-amine (1R)-1-(4-bromophenyl)-3-(6,8-di…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 7.78 -97.55 3 4 2 39 351.292 5 ↓
Hi High (pH 8-9.5) 1.31 6.64 -29.52 2 4 1 34 350.284 5 ↓
Hi High (pH 8-9.5) 1.31 7.32 -53.64 2 4 1 38 350.284 5 ↓

Analogs

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

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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) -0.07 6.05 -99.55 4 4 2 50 337.265 4 ↓
Hi High (pH 8-9.5) -0.07 5.58 -57.06 3 4 1 49 336.257 4 ↓
Hi High (pH 8-9.5) -0.07 5.71 -30.52 3 4 1 48 336.257 4 ↓

Analogs

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

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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) -0.07 6.05 -96.9 4 4 2 50 337.265 4 ↓
Hi High (pH 8-9.5) -0.07 5.58 -57.94 3 4 1 49 336.257 4 ↓
Hi High (pH 8-9.5) -0.07 5.74 -29.21 3 4 1 48 336.257 4 ↓

Analogs

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Popular Name: (1S)-1-(3-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-propan-1-amine (1S)-1-(3-bromophenyl)-3-(6,8-di…

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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 7.74 -92.32 3 4 2 39 351.292 5 ↓
Hi High (pH 8-9.5) 1.28 6.64 -30.89 2 4 1 34 350.284 5 ↓
Hi High (pH 8-9.5) 1.28 7.28 -53.98 2 4 1 38 350.284 5 ↓

Analogs

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Popular Name: (1R)-1-(3-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-propan-1-amine (1R)-1-(3-bromophenyl)-3-(6,8-di…

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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 7.77 -96.94 3 4 2 39 351.292 5 ↓
Hi High (pH 8-9.5) 1.28 7.31 -52.52 2 4 1 38 350.284 5 ↓
Hi High (pH 8-9.5) 1.28 6.63 -28.24 2 4 1 34 350.284 5 ↓

Analogs

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Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(p-tolyl)propan-1-amine (1R)-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) -0.40 6.11 -97.84 4 4 2 50 272.396 4 ↓
Hi High (pH 8-9.5) -0.40 5.65 -54.79 3 4 1 49 271.388 4 ↓

Analogs

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Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(p-tolyl)propan-1-amine (1S)-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) -0.40 6.11 -93.8 4 4 2 50 272.396 4 ↓
Hi High (pH 8-9.5) -0.40 5.65 -55.93 3 4 1 49 271.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-1-(p-tolyl)propan-1-amine (1R)-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) 0.95 7.83 -91.85 3 4 2 39 286.423 5 ↓
Hi High (pH 8-9.5) 0.95 7.37 -48.88 2 4 1 38 285.415 5 ↓

Analogs

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Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-1-(p-tolyl)propan-1-amine (1S)-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) 0.95 7.81 -88.31 3 4 2 39 286.423 5 ↓
Hi High (pH 8-9.5) 0.95 7.35 -49.98 2 4 1 38 285.415 5 ↓

Analogs

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

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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) -0.38 6.33 -96.91 4 4 2 50 272.396 4 ↓
Hi High (pH 8-9.5) -0.38 5.87 -57.19 3 4 1 49 271.388 4 ↓

Analogs

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Popular Name: (1S,2R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-1-phenyl-propan-1-amine (1S,2R)-3-(6,8-dihydro-5H-imidaz…

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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) -0.38 6.2 -93.4 4 4 2 50 272.396 4 ↓
Hi High (pH 8-9.5) -0.38 5.73 -55.71 3 4 1 49 271.388 4 ↓

Analogs

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Popular Name: (1S,2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N,2-dimethyl-1-phenyl-propan-1-amine (1S,2S)-3-(6,8-dihydro-5H-imidaz…

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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 7.81 -89.32 3 4 2 39 286.423 5 ↓
Hi High (pH 8-9.5) 1.88 7.34 -42.02 2 4 1 38 285.415 5 ↓

Analogs

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Popular Name: (1S,2R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N,2-dimethyl-1-phenyl-propan-1-amine (1S,2R)-3-(6,8-dihydro-5H-imidaz…

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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 7.92 -84.34 3 4 2 39 286.423 5 ↓
Hi High (pH 8-9.5) 1.88 7.46 -45.64 2 4 1 38 285.415 5 ↓

Analogs

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Popular Name: (1R)-1-(4-chlorophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-amine (1R)-1-(4-chlorophenyl)-3-(6,8-d…

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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) -0.17 5.95 -103.46 4 4 2 50 292.814 4 ↓
Hi High (pH 8-9.5) -0.17 5.49 -59.67 3 4 1 49 291.806 4 ↓
Hi High (pH 8-9.5) -0.17 5.61 -31.57 3 4 1 48 291.806 4 ↓

Analogs

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Popular Name: (1S)-1-(4-chlorophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-amine (1S)-1-(4-chlorophenyl)-3-(6,8-d…

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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) -0.17 5.95 -99.56 4 4 2 50 292.814 4 ↓
Hi High (pH 8-9.5) -0.17 5.65 -29.51 3 4 1 48 291.806 4 ↓
Hi High (pH 8-9.5) -0.17 5.49 -60.68 3 4 1 49 291.806 4 ↓

Analogs

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Popular Name: (1S)-1-(4-chlorophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-propan-1-amine (1S)-1-(4-chlorophenyl)-3-(6,8-d…

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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) 1.18 7.65 -93.74 3 4 2 39 306.841 5 ↓
Hi High (pH 8-9.5) 1.18 6.54 -30.8 2 4 1 34 305.833 5 ↓
Hi High (pH 8-9.5) 1.18 7.18 -54.46 2 4 1 38 305.833 5 ↓

Analogs

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Popular Name: (1R)-1-(4-chlorophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-propan-1-amine (1R)-1-(4-chlorophenyl)-3-(6,8-d…

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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) 1.18 7.68 -97.3 3 4 2 39 306.841 5 ↓
Hi High (pH 8-9.5) 1.18 6.54 -29.48 2 4 1 34 305.833 5 ↓
Hi High (pH 8-9.5) 1.18 7.21 -53.46 2 4 1 38 305.833 5 ↓

Analogs

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

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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) -0.22 5.85 -97.85 4 4 2 50 292.814 4 ↓
Hi High (pH 8-9.5) -0.22 5.57 -28.47 3 4 1 48 291.806 4 ↓
Hi High (pH 8-9.5) -0.22 5.39 -54.7 3 4 1 49 291.806 4 ↓

Analogs

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

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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) -0.22 5.83 -92.33 4 4 2 50 292.814 4 ↓
Hi High (pH 8-9.5) -0.22 5.51 -28.56 3 4 1 48 291.806 4 ↓
Hi High (pH 8-9.5) -0.22 5.37 -56.84 3 4 1 49 291.806 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chlorophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-propan-1-amine (1S)-1-(2-chlorophenyl)-3-(6,8-d…

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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) 1.13 7.43 -86.27 3 4 2 39 306.841 5 ↓
Hi High (pH 8-9.5) 1.13 6.97 -50.61 2 4 1 38 305.833 5 ↓
Hi High (pH 8-9.5) 1.13 6.71 -28.3 2 4 1 34 305.833 5 ↓

Analogs

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Popular Name: (1R)-1-(2-chlorophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-propan-1-amine (1R)-1-(2-chlorophenyl)-3-(6,8-d…

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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) 1.13 7.51 -91.66 3 4 2 39 306.841 5 ↓
Hi High (pH 8-9.5) 1.13 6.48 -28.4 2 4 1 34 305.833 5 ↓
Hi High (pH 8-9.5) 1.13 7.04 -48.65 2 4 1 38 305.833 5 ↓

Analogs

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Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(3-fluorophenyl)propan-1-amine (1R)-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) -0.71 5.5 -100.76 4 4 2 50 276.359 4 ↓
Hi High (pH 8-9.5) -0.71 5.04 -58.21 3 4 1 49 275.351 4 ↓
Hi High (pH 8-9.5) -0.71 5.2 -29.22 3 4 1 48 275.351 4 ↓

Analogs

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Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(3-fluorophenyl)propan-1-amine (1S)-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) -0.71 5.5 -97.93 4 4 2 50 276.359 4 ↓
Hi High (pH 8-9.5) -0.71 5.04 -59.01 3 4 1 49 275.351 4 ↓
Hi High (pH 8-9.5) -0.71 5.16 -31.88 3 4 1 48 275.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(3-fluorophenyl)-N-methyl-propan-1-amine (1S)-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) 0.64 7.2 -93.24 3 4 2 39 290.386 5 ↓
Hi High (pH 8-9.5) 0.64 6.73 -54.9 2 4 1 38 289.378 5 ↓
Hi High (pH 8-9.5) 0.64 6.09 -31.86 2 4 1 34 289.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(3-fluorophenyl)-N-methyl-propan-1-amine (1R)-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) 0.64 7.22 -97.78 3 4 2 39 290.386 5 ↓
Hi High (pH 8-9.5) 0.64 6.76 -53.54 2 4 1 38 289.378 5 ↓
Hi High (pH 8-9.5) 0.64 6.08 -28.93 2 4 1 34 289.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)propan-1-amine (1R)-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) -0.74 5.5 -99.04 4 4 2 50 276.359 4 ↓
Hi High (pH 8-9.5) -0.74 5.2 -29.29 3 4 1 48 275.351 4 ↓
Hi High (pH 8-9.5) -0.74 4.7 -9.8 2 4 0 47 274.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)propan-1-amine (1S)-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) -0.74 5.51 -93.29 4 4 2 50 276.359 4 ↓
Hi High (pH 8-9.5) -0.74 4.76 -9.64 2 4 0 47 274.343 4 ↓
Hi High (pH 8-9.5) -0.74 5.19 -28.9 3 4 1 48 275.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-N-methyl-propan-1-amine (1S)-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) 0.62 7.1 -87.02 3 4 2 39 290.386 5 ↓
Hi High (pH 8-9.5) 0.62 6.32 -28.65 2 4 1 34 289.378 5 ↓
Hi High (pH 8-9.5) 0.62 6.63 -51.62 2 4 1 38 289.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-N-methyl-propan-1-amine (1R)-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) 0.62 7.14 -92.63 3 4 2 39 290.386 5 ↓
Hi High (pH 8-9.5) 0.62 6.09 -29.1 2 4 1 34 289.378 5 ↓
Hi High (pH 8-9.5) 0.62 6.68 -49.66 2 4 1 38 289.378 5 ↓

Analogs

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Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-fluorophenyl)propan-1-amine (1R)-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) -0.69 5.5 -104.62 4 4 2 50 276.359 4 ↓
Hi High (pH 8-9.5) -0.69 5.04 -60.76 3 4 1 49 275.351 4 ↓
Hi High (pH 8-9.5) -0.69 5.16 -32.46 3 4 1 48 275.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-fluorophenyl)propan-1-amine (1S)-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) -0.69 5.5 -100.67 4 4 2 50 276.359 4 ↓
Hi High (pH 8-9.5) -0.69 5.04 -61.9 3 4 1 49 275.351 4 ↓
Hi High (pH 8-9.5) -0.69 5.2 -30.4 3 4 1 48 275.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-fluorophenyl)-N-methyl-propan-1-amine (1S)-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) 0.66 7.2 -94.83 3 4 2 39 290.386 5 ↓
Hi High (pH 8-9.5) 0.66 6.73 -55.54 2 4 1 38 289.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-fluorophenyl)-N-methyl-propan-1-amine (1R)-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) 0.66 7.22 -98.36 3 4 2 39 290.386 5 ↓
Hi High (pH 8-9.5) 0.66 6.76 -54.51 2 4 1 38 289.378 5 ↓

Analogs

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

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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 -97.7 4 4 2 50 337.265 4 ↓
Hi High (pH 8-9.5) -0.09 5.64 -28.52 3 4 1 48 336.257 4 ↓
Hi High (pH 8-9.5) -0.09 5.13 -9.1 2 4 0 47 335.249 4 ↓

Analogs

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

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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 5.9 -92.02 4 4 2 50 337.265 4 ↓
Hi High (pH 8-9.5) -0.09 5.59 -28.57 3 4 1 48 336.257 4 ↓
Hi High (pH 8-9.5) -0.09 5.16 -8.82 2 4 0 47 335.249 4 ↓

Parameters Provided:

ring.id = 99004
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 = 99004 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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