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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)-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: (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: (2S)-2-(cyclopropylamino)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic (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) -2.31 6.91 -85.56 3 6 1 79 251.31 5 ↓
Hi High (pH 8-9.5) -2.31 5.11 -34.49 2 6 0 78 250.302 5 ↓
Hi High (pH 8-9.5) -2.31 4.08 -51.96 2 6 0 74 250.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic (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) -2.31 6.97 -82.93 3 6 1 79 251.31 5 ↓
Hi High (pH 8-9.5) -2.31 4.72 -56.91 2 6 0 74 250.302 5 ↓
Hi High (pH 8-9.5) -2.31 5.1 -32.35 2 6 0 78 250.302 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-propanoic (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) -2.38 7.17 -69.04 3 6 1 79 265.337 5 ↓
Hi High (pH 8-9.5) -2.38 5.33 -30.47 2 6 0 78 264.329 5 ↓
Hi High (pH 8-9.5) -2.38 5.6 -48.87 2 6 0 74 264.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-propanoic (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) -2.38 7.1 -83.36 3 6 1 79 265.337 5 ↓
Hi High (pH 8-9.5) -2.38 5.33 -45.92 2 6 0 78 264.329 5 ↓
Hi High (pH 8-9.5) -2.38 4.69 -41.51 2 6 0 74 264.329 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) 0.21 5.98 -32.75 2 6 1 61 279.364 6 ↓
Hi High (pH 8-9.5) 0.21 5.51 -10.67 1 6 0 59 278.356 6 ↓
Mid Mid (pH 6-8) 0.21 6.09 -84.29 3 6 2 65 280.372 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) 0.21 4.99 -31.1 2 6 1 61 279.364 6 ↓
Hi High (pH 8-9.5) 0.21 4.53 -10.28 1 6 0 59 278.356 6 ↓
Mid Mid (pH 6-8) 0.21 6.09 -86.72 3 6 2 65 280.372 6 ↓

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) 0.59 6.45 -29.5 2 6 1 61 293.391 7 ↓
Hi High (pH 8-9.5) 0.59 5.98 -9.03 1 6 0 59 292.383 7 ↓
Mid Mid (pH 6-8) 0.59 8.14 -87.74 3 6 2 65 294.399 7 ↓

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) 0.59 6.6 -29.73 2 6 1 61 293.391 7 ↓
Hi High (pH 8-9.5) 0.59 6.13 -12.49 1 6 0 59 292.383 7 ↓
Mid Mid (pH 6-8) 0.59 7.62 -84.28 3 6 2 65 294.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-propanamide (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) -0.92 2.16 -88.35 5 6 2 82 265.361 5 ↓
Hi High (pH 8-9.5) -0.92 1.88 -9.78 3 6 0 76 263.345 5 ↓
Hi High (pH 8-9.5) -0.92 2.34 -35.87 4 6 1 77 264.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-propanamide (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) -0.92 1.94 -90.38 5 6 2 82 265.361 5 ↓
Hi High (pH 8-9.5) -0.92 1.68 -11.76 3 6 0 76 263.345 5 ↓
Hi High (pH 8-9.5) -0.92 2.15 -35.46 4 6 1 77 264.353 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) 0.14 4.53 -32.05 2 6 1 61 279.364 7 ↓
Hi High (pH 8-9.5) 0.14 4.06 -8.99 1 6 0 59 278.356 7 ↓
Mid Mid (pH 6-8) 0.14 6.54 -90.65 3 6 2 65 280.372 7 ↓

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) 0.14 4.83 -34.76 2 6 1 61 279.364 7 ↓
Hi High (pH 8-9.5) 0.14 4.36 -10.69 1 6 0 59 278.356 7 ↓
Mid Mid (pH 6-8) 0.14 6.24 -89.88 3 6 2 65 280.372 7 ↓

Parameters Provided:

ring.id = 97535
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 = 97535 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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