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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: (3R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-carbaldehyde (3R)-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 3.8 -34.28 1 5 1 49 236.295 3 ↓
Hi High (pH 8-9.5) -0.23 3.33 -15.76 0 5 0 47 235.287 3 ↓

Analogs

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Popular Name: (3S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-carbaldehyde (3S)-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 3.41 -36.16 1 5 1 49 236.295 3 ↓
Hi High (pH 8-9.5) -0.23 2.94 -11.14 0 5 0 47 235.287 3 ↓

Analogs

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Popular Name: 1-[(3S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]-N-methyl-methanamin 1-[(3S)-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) -0.26 4.41 -81.58 3 5 2 48 252.362 4 ↓
Hi High (pH 8-9.5) -0.26 3.94 -49.08 2 5 1 47 251.354 4 ↓

Analogs

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Popular Name: 1-[(3R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]-N-methyl-methanamin 1-[(3R)-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) -0.26 4.13 -84.22 3 5 2 48 252.362 4 ↓
Hi High (pH 8-9.5) -0.26 3.66 -40.76 2 5 1 47 251.354 4 ↓

Analogs

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Popular Name: N-[[(3S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3S)-3-(6,8-dihydro-5H-imida…

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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) -0.24 5.29 -81.48 3 5 2 48 266.389 5 ↓
Hi High (pH 8-9.5) -0.24 4.82 -48.21 2 5 1 47 265.381 5 ↓

Analogs

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Popular Name: N-[[(3R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3R)-3-(6,8-dihydro-5H-imida…

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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) -0.24 4.99 -84.24 3 5 2 48 266.389 5 ↓
Hi High (pH 8-9.5) -0.24 4.52 -40.05 2 5 1 47 265.381 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-1-ami N-[[(3S)-3-(6,8-dihydro-5H-imida…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.26 6.04 -82.86 3 5 2 48 280.416 6 ↓
Hi High (pH 8-9.5) 0.26 5.56 -49.19 2 5 1 47 279.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-1-ami N-[[(3R)-3-(6,8-dihydro-5H-imida…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.26 5.74 -85.52 3 5 2 48 280.416 6 ↓
Hi High (pH 8-9.5) 0.26 5.27 -40.74 2 5 1 47 279.408 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-2-ami N-[[(3S)-3-(6,8-dihydro-5H-imida…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.41 5.78 -80.38 3 5 2 48 280.416 5 ↓
Hi High (pH 8-9.5) 0.41 5.33 -46.73 2 5 1 47 279.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-2-ami N-[[(3R)-3-(6,8-dihydro-5H-imida…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.41 5.5 -83.48 3 5 2 48 280.416 5 ↓
Hi High (pH 8-9.5) 0.41 5.03 -38.49 2 5 1 47 279.408 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]methyl]-2-methyl-pr N-[[(3S)-3-(6,8-dihydro-5H-imida…

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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 6.2 -79.24 3 5 2 48 294.443 5 ↓
Hi High (pH 8-9.5) 0.92 5.73 -45 2 5 1 47 293.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]methyl]-2-methyl-pr N-[[(3R)-3-(6,8-dihydro-5H-imida…

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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 5.9 -82.11 3 5 2 48 294.443 5 ↓
Hi High (pH 8-9.5) 0.92 5.44 -37.17 2 5 1 47 293.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]methyl]-2-methyl-pr N-[[(3S)-3-(6,8-dihydro-5H-imida…

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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) 0.51 6.72 -83.31 3 5 2 48 294.443 6 ↓
Hi High (pH 8-9.5) 0.51 6.27 -49.11 2 5 1 47 293.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-yl]methyl]-2-methyl-pr N-[[(3R)-3-(6,8-dihydro-5H-imida…

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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) 0.51 6.43 -85.75 3 5 2 48 294.443 6 ↓
Hi High (pH 8-9.5) 0.51 5.97 -40.69 2 5 1 47 293.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -1.24 2.14 -88.58 4 5 2 59 238.335 3 ↓
Hi High (pH 8-9.5) -1.24 1.68 -45.61 3 5 1 58 237.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -1.24 2.6 -86.42 4 5 2 59 238.335 3 ↓
Hi High (pH 8-9.5) -1.24 2.13 -54.64 3 5 1 58 237.327 3 ↓

Analogs

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Popular Name: (3R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-carboxylic (3R)-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) -0.80 4.21 -47.05 1 6 0 72 251.286 3 ↓
Hi High (pH 8-9.5) -0.80 3.73 -61.44 0 6 -1 70 250.278 3 ↓
Mid Mid (pH 6-8) -0.80 6.08 -78.94 2 6 1 73 252.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydrofuran-3-carboxylic (3S)-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) -0.80 4.24 -41.49 1 6 0 72 251.286 3 ↓
Hi High (pH 8-9.5) -0.80 3.77 -54.94 0 6 -1 70 250.278 3 ↓
Mid Mid (pH 6-8) -0.80 6.04 -71.4 2 6 1 73 252.294 3 ↓

Analogs

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

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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 1.4 -34.01 2 5 1 52 238.311 3 ↓
Hi High (pH 8-9.5) -0.68 0.93 -11.13 1 5 0 51 237.303 3 ↓

Analogs

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

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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 1.93 -30.02 2 5 1 52 238.311 3 ↓
Hi High (pH 8-9.5) -0.68 1.46 -8.32 1 5 0 51 237.303 3 ↓

Parameters Provided:

ring.id = 98995
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 = 98995 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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