UCSF
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Analogs

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Popular Name: 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentanecarbaldehyde 1-(6,8-dihydro-5H-imidazo[1,2-a]…

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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) 1.07 5.97 -31.21 1 4 1 39 234.323 3 ↓
Hi High (pH 8-9.5) 1.07 5.51 -13.7 0 4 0 38 233.315 3 ↓

Analogs

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Popular Name: 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentanamine 1-(6,8-dihydro-5H-imidazo[1,2-a]…

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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 3.87 -90.25 4 4 2 50 222.336 2 ↓
Hi High (pH 8-9.5) 0.64 3.41 -45.2 3 4 1 49 221.328 2 ↓

Analogs

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Popular Name: 1-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentyl]-N-methyl-methanamine 1-[1-(6,8-dihydro-5H-imidazo[1,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 6.71 -82.81 3 4 2 39 250.39 4 ↓
Hi High (pH 8-9.5) 1.03 6.25 -41.7 2 4 1 38 249.382 4 ↓

Analogs

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Popular Name: N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentyl]methyl]ethanamine N-[[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) 1.06 7.58 -82.59 3 4 2 39 264.417 5 ↓
Hi High (pH 8-9.5) 1.06 7.11 -40.57 2 4 1 38 263.409 5 ↓

Analogs

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Popular Name: N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentyl]methyl]propan-1-amine N-[[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) 1.56 8.33 -83.9 3 4 2 39 278.444 6 ↓
Hi High (pH 8-9.5) 1.56 7.86 -41.39 2 4 1 38 277.436 6 ↓

Analogs

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Popular Name: N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentyl]methyl]propan-2-amine N-[[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) 1.71 8.07 -81.71 3 4 2 39 278.444 5 ↓
Hi High (pH 8-9.5) 1.71 7.61 -39.04 2 4 1 38 277.436 5 ↓

Analogs

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Popular Name: N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentyl]methyl]-2-methyl-propan-2-amine N-[[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) 2.22 8.48 -80.29 3 4 2 39 292.471 5 ↓
Hi High (pH 8-9.5) 2.22 8.02 -37.81 2 4 1 38 291.463 5 ↓

Analogs

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Popular Name: N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentyl]methyl]-2-methyl-propan-1-amine N-[[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) 1.80 9.02 -84.1 3 4 2 39 292.471 6 ↓
Hi High (pH 8-9.5) 1.80 8.55 -41.03 2 4 1 38 291.463 6 ↓

Analogs

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Popular Name: [1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentyl]methanamine [1-(6,8-dihydro-5H-imidazo[1,2-a…

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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) 0.05 4.72 -87.88 4 4 2 50 236.363 3 ↓
Hi High (pH 8-9.5) 0.05 4.26 -46.84 3 4 1 49 235.355 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-ethyl-cyclopentanamine (1R,2R)-2-(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) 1.19 6.47 -84.89 3 4 2 39 250.39 4 ↓
Hi High (pH 8-9.5) 1.19 6.01 -46.17 2 4 1 38 249.382 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-ethyl-cyclopentanamine (1S,2R)-2-(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) 1.19 6.12 -84.77 3 4 2 39 250.39 4 ↓
Hi High (pH 8-9.5) 1.19 5.66 -43.13 2 4 1 38 249.382 4 ↓

Analogs

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Popular Name: (1R,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-ethyl-cyclopentanamine (1R,2S)-2-(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) 1.19 6.9 -85.69 3 4 2 39 250.39 4 ↓
Hi High (pH 8-9.5) 1.19 6.44 -36.75 2 4 1 38 249.382 4 ↓

Analogs

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Popular Name: (1S,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-ethyl-cyclopentanamine (1S,2S)-2-(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) 1.19 6.57 -84.86 3 4 2 39 250.39 4 ↓
Hi High (pH 8-9.5) 1.19 6.1 -45.81 2 4 1 38 249.382 4 ↓

Analogs

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Popular Name: (1R,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propyl-cyclopentanamine (1R,2R)-2-(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) 1.69 7.23 -86.47 3 4 2 39 264.417 5 ↓
Hi High (pH 8-9.5) 1.69 6.77 -47.1 2 4 1 38 263.409 5 ↓

Analogs

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Popular Name: (1S,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propyl-cyclopentanamine (1S,2R)-2-(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) 1.69 6.87 -86.35 3 4 2 39 264.417 5 ↓
Hi High (pH 8-9.5) 1.69 6.41 -43.98 2 4 1 38 263.409 5 ↓

Analogs

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Popular Name: (1R,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propyl-cyclopentanamine (1R,2S)-2-(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) 1.69 7.67 -87.08 3 4 2 39 264.417 5 ↓
Hi High (pH 8-9.5) 1.69 7.2 -37.28 2 4 1 38 263.409 5 ↓

Analogs

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Popular Name: (1S,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propyl-cyclopentanamine (1S,2S)-2-(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) 1.69 7.33 -86.39 3 4 2 39 264.417 5 ↓
Hi High (pH 8-9.5) 1.69 6.87 -46.8 2 4 1 38 263.409 5 ↓

Analogs

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Popular Name: (1S,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentanamine (1S,2S)-2-(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) -0.09 3.81 -91.21 4 4 2 50 222.336 2 ↓
Hi High (pH 8-9.5) -0.09 3.34 -52.62 3 4 1 49 221.328 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentanamine (1S,2R)-2-(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) -0.09 3.76 -90.81 4 4 2 50 222.336 2 ↓
Hi High (pH 8-9.5) -0.09 3.29 -49.39 3 4 1 49 221.328 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methyl-cyclopentanamine (1R,2R)-2-(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) 0.82 5.64 -85.81 3 4 2 39 236.363 3 ↓
Hi High (pH 8-9.5) 0.82 5.17 -47.61 2 4 1 38 235.355 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methyl-cyclopentanamine (1S,2R)-2-(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) 0.82 5.28 -85.59 3 4 2 39 236.363 3 ↓
Hi High (pH 8-9.5) 0.82 4.82 -44.25 2 4 1 38 235.355 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methyl-cyclopentanamine (1R,2S)-2-(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) 0.82 6.08 -86.72 3 4 2 39 236.363 3 ↓
Hi High (pH 8-9.5) 0.82 5.61 -37.63 2 4 1 38 235.355 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methyl-cyclopentanamine (1S,2S)-2-(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) 0.82 5.73 -85.88 3 4 2 39 236.363 3 ↓
Hi High (pH 8-9.5) 0.82 5.27 -47.08 2 4 1 38 235.355 3 ↓

Analogs

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Popular Name: 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentanecarboxylic 1-(6,8-dihydro-5H-imidazo[1,2-a]…

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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) 0.49 8.63 -73.58 2 5 1 64 250.322 3 ↓
Hi High (pH 8-9.5) 0.49 6.7 -61.15 0 5 -1 61 248.306 3 ↓
Hi High (pH 8-9.5) 0.49 7.17 -45.32 1 5 0 62 249.314 3 ↓

Analogs

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Popular Name: [1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentyl]methanol [1-(6,8-dihydro-5H-imidazo[1,2-a…

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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 4.04 -29.98 2 4 1 43 236.339 3 ↓
Hi High (pH 8-9.5) 0.62 3.57 -8.78 1 4 0 41 235.331 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentanol (1S,2S)-2-(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) 0.40 3.19 -27.27 2 4 1 43 222.312 2 ↓
Hi High (pH 8-9.5) 0.40 2.72 -8.12 1 4 0 41 221.304 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentanol (1S,2R)-2-(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) 0.40 2.93 -27.76 2 4 1 43 222.312 2 ↓
Hi High (pH 8-9.5) 0.40 2.46 -9.42 1 4 0 41 221.304 2 ↓

Parameters Provided:

ring.id = 99032
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 = 99032 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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