UCSF
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Analogs

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Popular Name: 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluoro-benzoic 2-(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) 1.62 8.72 -34.67 1 5 0 62 261.256 2 ↓
Hi High (pH 8-9.5) 1.62 8.25 -47.61 0 5 -1 61 260.248 2 ↓

Analogs

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Popular Name: 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methyl-benzoic 2-(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) 1.93 9.55 -53.23 1 5 0 62 257.293 2 ↓
Hi High (pH 8-9.5) 1.93 9.09 -54.28 0 5 -1 61 256.285 2 ↓

Analogs

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Popular Name: [4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methanamine [4-chloro-2-(6,8-dihydro-5H-imid…

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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) 1.25 6.64 -103.13 4 4 2 50 264.76 2 ↓
Hi High (pH 8-9.5) 1.25 6.18 -54.63 3 4 1 49 263.752 2 ↓

Analogs

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Popular Name: 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic 4-chloro-2-(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) 2.16 9.42 -47.35 1 5 0 62 277.711 2 ↓
Hi High (pH 8-9.5) 2.16 8.95 -47.55 0 5 -1 61 276.703 2 ↓

Analogs

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Popular Name: 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide 4-chloro-2-(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) 1.87 7.71 -29.31 3 4 1 48 293.803 2 ↓
Hi High (pH 8-9.5) 1.87 7.24 -14.11 2 4 0 47 292.795 2 ↓

Analogs

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Popular Name: 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamidine 4-chloro-2-(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) 0.45 6.14 -86.77 5 5 2 74 277.759 2 ↓
Hi High (pH 8-9.5) 0.45 6.75 -8.6 3 5 0 71 275.743 2 ↓
Mid Mid (pH 6-8) 0.45 7.22 -26.86 4 5 1 72 276.751 2 ↓

Analogs

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Popular Name: 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-benzamidine 4-chloro-2-(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) 0.38 5.11 -33.47 4 6 1 81 292.75 2 ↓
Hi High (pH 8-9.5) 0.38 4.65 -11.31 3 6 0 80 291.742 2 ↓
Lo Low (pH 4.5-6) 0.38 4.99 -86.92 5 6 2 83 293.758 2 ↓

Analogs

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Popular Name: 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzonitrile 4-chloro-2-(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) 1.82 8.88 -32 1 4 1 46 259.72 1 ↓
Hi High (pH 8-9.5) 1.82 8.42 -9.81 0 4 0 45 258.712 1 ↓

Analogs

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Popular Name: [3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methanamine [3-chloro-4-(6,8-dihydro-5H-imid…

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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) 1.25 6.53 -84.56 4 4 2 50 264.76 2 ↓
Hi High (pH 8-9.5) 1.25 5.66 -7.04 2 4 0 47 262.744 2 ↓
Mid Mid (pH 6-8) 1.25 6.06 -53.93 3 4 1 49 263.752 2 ↓

Analogs

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Popular Name: 3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzonitrile 3-chloro-4-(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) 1.82 8.9 -35.64 1 4 1 46 259.72 1 ↓
Hi High (pH 8-9.5) 1.82 8.43 -9.68 0 4 0 45 258.712 1 ↓

Analogs

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Popular Name: 3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamidine 3-chloro-4-(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) 0.45 6.38 -75.85 5 5 2 74 277.759 2 ↓
Hi High (pH 8-9.5) 0.45 5.92 -40.94 4 5 1 73 276.751 2 ↓

Analogs

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Popular Name: 3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-benzamidine 3-chloro-4-(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) 0.38 5.18 -35.39 4 6 1 81 292.75 2 ↓
Hi High (pH 8-9.5) 0.38 4.72 -11.78 3 6 0 80 291.742 2 ↓
Lo Low (pH 4.5-6) 0.38 5.13 -76.27 5 6 2 83 293.758 2 ↓

Analogs

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Popular Name: 3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide 3-chloro-4-(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) 1.87 7.72 -39.88 3 4 1 48 293.803 2 ↓
Hi High (pH 8-9.5) 1.87 7.25 -14.67 2 4 0 47 292.795 2 ↓

Analogs

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Popular Name: 3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic 3-chloro-4-(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) 1.98 9.06 -62.8 1 5 0 62 277.711 2 ↓
Hi High (pH 8-9.5) 1.98 8.6 -47.98 0 5 -1 61 276.703 2 ↓

Analogs

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Popular Name: 4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic 4-amino-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) 0.56 6.77 -54.47 3 6 0 88 258.281 2 ↓
Hi High (pH 8-9.5) 0.56 6.3 -55.71 2 6 -1 87 257.273 2 ↓

Parameters Provided:

ring.id = 98690
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 = 98690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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