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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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: 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) 0.48 5.93 -86.79 3 6 2 65 294.399 7 ↓
Hi High (pH 8-9.5) 0.48 4.69 -11.57 1 6 0 59 292.383 7 ↓
Mid Mid (pH 6-8) 0.48 4.83 -33.19 2 6 1 61 293.391 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) 0.48 5.96 -84.62 3 6 2 65 294.399 7 ↓
Hi High (pH 8-9.5) 0.48 4.56 -12.78 1 6 0 59 292.383 7 ↓
Mid Mid (pH 6-8) 0.48 4.81 -30.85 2 6 1 61 293.391 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-butanamide (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) -0.65 2.19 -90.43 5 6 2 82 279.388 6 ↓
Hi High (pH 8-9.5) -0.65 0.52 -9.9 3 6 0 76 277.372 6 ↓
Hi High (pH 8-9.5) -0.65 0.98 -33.13 4 6 1 77 278.38 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-butanamide (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) -0.65 2.03 -89.33 5 6 2 82 279.388 6 ↓
Hi High (pH 8-9.5) -0.65 0.45 -11 3 6 0 76 277.372 6 ↓
Hi High (pH 8-9.5) -0.65 0.91 -33.39 4 6 1 77 278.38 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-butanoic (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) -2.11 5.58 -60.95 3 6 1 79 279.364 6 ↓
Hi High (pH 8-9.5) -2.11 5.11 -33.32 2 6 0 78 278.356 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-butanoic (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) -2.11 5.64 -56.75 3 6 1 79 279.364 6 ↓
Hi High (pH 8-9.5) -2.11 5.18 -37.3 2 6 0 78 278.356 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-pentyl]cyclopropanamine N-[(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) 1.97 7.98 -86.09 3 4 2 39 278.444 7 ↓
Hi High (pH 8-9.5) 1.97 7.51 -38.05 2 4 1 38 277.436 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-pentyl]cyclopropanamine N-[(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) 1.97 8.19 -81.55 3 4 2 39 278.444 7 ↓
Hi High (pH 8-9.5) 1.97 7.72 -40.09 2 4 1 38 277.436 7 ↓

Analogs

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Popular Name: N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-ethyl-butyl]cyclopropanamine N-[2-(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) 1.74 7.79 -77.43 3 4 2 39 278.444 7 ↓
Hi High (pH 8-9.5) 1.74 7.33 -42.32 2 4 1 38 277.436 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-butyl]cyclopropanamine N-[(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) 1.41 7.21 -84.64 3 4 2 39 264.417 6 ↓
Hi High (pH 8-9.5) 1.41 6.75 -37.38 2 4 1 38 263.409 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-butyl]cyclopropanamine N-[(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) 1.41 7.42 -80.21 3 4 2 39 264.417 6 ↓
Hi High (pH 8-9.5) 1.41 6.96 -39.36 2 4 1 38 263.409 6 ↓

Analogs

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Popular Name: N-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethyl-propyl]cyclopropanamine N-[3-(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) 1.07 6.84 -79.36 3 4 2 39 250.39 5 ↓
Hi High (pH 8-9.5) 1.07 6.37 -40.14 2 4 1 38 249.382 5 ↓

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) 0.41 6.67 -88.15 3 6 2 65 294.399 8 ↓
Hi High (pH 8-9.5) 0.41 4.79 -10.68 1 6 0 59 292.383 8 ↓
Mid Mid (pH 6-8) 0.41 5.25 -30.58 2 6 1 61 293.391 8 ↓

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) 0.41 6.65 -86.53 3 6 2 65 294.399 8 ↓
Hi High (pH 8-9.5) 0.41 4.66 -12.22 1 6 0 59 292.383 8 ↓
Mid Mid (pH 6-8) 0.41 5.12 -34.64 2 6 1 61 293.391 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butanamide (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) -0.53 1.8 -89.05 5 6 2 82 265.361 6 ↓
Hi High (pH 8-9.5) -0.53 0.88 -36.1 4 6 1 77 264.353 6 ↓
Hi High (pH 8-9.5) -0.53 0.41 -11.89 3 6 0 76 263.345 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butanamide (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) -0.53 1.79 -89.25 5 6 2 82 265.361 6 ↓
Hi High (pH 8-9.5) -0.53 0.33 -15.87 3 6 0 76 263.345 6 ↓
Hi High (pH 8-9.5) -0.53 0.8 -37.15 4 6 1 77 264.353 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butanoic (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) -2.04 5.66 -63.99 3 6 1 79 265.337 6 ↓
Hi High (pH 8-9.5) -2.04 5.26 -45.09 2 6 0 78 264.329 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butanoic (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) -2.04 5.7 -66.36 3 6 1 79 265.337 6 ↓
Hi High (pH 8-9.5) -2.04 5.15 -41.51 2 6 0 78 264.329 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) 0.04 5.74 -88.28 3 6 2 65 280.372 7 ↓
Hi High (pH 8-9.5) 0.04 4.29 -13.35 1 6 0 59 278.356 7 ↓
Mid Mid (pH 6-8) 0.04 4.33 -30.81 2 6 1 61 279.364 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) 0.04 5.73 -86.69 3 6 2 65 280.372 7 ↓
Hi High (pH 8-9.5) 0.04 4.36 -9.84 1 6 0 59 278.356 7 ↓
Mid Mid (pH 6-8) 0.04 4.19 -34.86 2 6 1 61 279.364 7 ↓

Analogs

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

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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) 0.32 5.72 -80.3 4 5 2 59 280.416 6 ↓
Hi High (pH 8-9.5) 0.32 5.25 -33.49 3 5 1 58 279.408 6 ↓

Analogs

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

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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) 0.32 2.85 -77.21 4 5 2 59 280.416 6 ↓
Hi High (pH 8-9.5) 0.32 2.38 -37.96 3 5 1 58 279.408 6 ↓

Analogs

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

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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) 0.32 5.31 -79.22 4 5 2 59 280.416 6 ↓
Hi High (pH 8-9.5) 0.32 4.84 -38.41 3 5 1 58 279.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.32 3.08 -79.9 4 5 2 59 280.416 6 ↓
Hi High (pH 8-9.5) 0.32 2.61 -37.86 3 5 1 58 279.408 6 ↓

Parameters Provided:

ring.id = 97565
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 = 97565 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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