UCSF
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Analogs

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Popular Name: 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(o-tolyl)propan-1-one 3-(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) 1.58 7.78 -34.14 1 4 1 39 270.356 4 ↓
Hi High (pH 8-9.5) 1.58 7.32 -10.09 0 4 0 38 269.348 4 ↓

Analogs

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Popular Name: 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-phenyl-propan-1-one 3-(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) 1.18 7.11 -34.95 1 4 1 39 256.329 4 ↓
Hi High (pH 8-9.5) 1.18 6.64 -10.79 0 4 0 38 255.321 4 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one 1-(4-bromophenyl)-3-(6,8-dihydro…

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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) 1.99 7.73 -35.85 1 4 1 39 335.225 4 ↓
Hi High (pH 8-9.5) 1.99 7.27 -10.34 0 4 0 38 334.217 4 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one 1-(3-bromophenyl)-3-(6,8-dihydro…

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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 7.73 -33.06 1 4 1 39 335.225 4 ↓
Hi High (pH 8-9.5) 1.97 7.27 -9.74 0 4 0 38 334.217 4 ↓

Analogs

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Popular Name: 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(p-tolyl)propan-1-one 3-(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) 1.63 7.79 -34.91 1 4 1 39 270.356 4 ↓
Hi High (pH 8-9.5) 1.63 7.32 -10.69 0 4 0 38 269.348 4 ↓

Analogs

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Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-1-phenyl-propan-1-one (2S)-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) 1.66 7.88 -33.49 1 4 1 39 270.356 4 ↓
Hi High (pH 8-9.5) 1.66 7.42 -11 0 4 0 38 269.348 4 ↓

Analogs

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Popular Name: (2R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-1-phenyl-propan-1-one (2R)-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) 1.66 7.99 -35.07 1 4 1 39 270.356 4 ↓
Hi High (pH 8-9.5) 1.66 7.52 -10.1 0 4 0 38 269.348 4 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one 1-(4-chlorophenyl)-3-(6,8-dihydr…

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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) 1.86 7.63 -35.88 1 4 1 39 290.774 4 ↓
Hi High (pH 8-9.5) 1.86 7.16 -10.38 0 4 0 38 289.766 4 ↓

Analogs

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Popular Name: 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(3-fluorophenyl)propan-1-one 3-(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) 1.32 7.18 -33.51 1 4 1 39 274.319 4 ↓
Hi High (pH 8-9.5) 1.32 6.71 -10.26 0 4 0 38 273.311 4 ↓

Analogs

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Popular Name: 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)propan-1-one 3-(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) 1.30 7.19 -39.22 1 4 1 39 274.319 4 ↓
Hi High (pH 8-9.5) 1.30 6.72 -14.1 0 4 0 38 273.311 4 ↓

Analogs

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Popular Name: 1-(2-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one 1-(2-bromophenyl)-3-(6,8-dihydro…

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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) 1.94 7.73 -36.44 1 4 1 39 335.225 4 ↓
Hi High (pH 8-9.5) 1.94 7.27 -11.76 0 4 0 38 334.217 4 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one 1-(3-chlorophenyl)-3-(6,8-dihydr…

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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) 1.84 7.63 -33.19 1 4 1 39 290.774 4 ↓
Hi High (pH 8-9.5) 1.84 7.16 -9.81 0 4 0 38 289.766 4 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one 1-(2-chlorophenyl)-3-(6,8-dihydr…

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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) 1.81 7.63 -36.85 1 4 1 39 290.774 4 ↓
Hi High (pH 8-9.5) 1.81 7.16 -12.18 0 4 0 38 289.766 4 ↓

Analogs

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Popular Name: 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethyl-1-phenyl-propan-1-one 3-(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) 2.07 8.38 -29.81 1 4 1 39 284.383 4 ↓
Hi High (pH 8-9.5) 2.07 7.91 -16.59 0 4 0 38 283.375 4 ↓

Parameters Provided:

ring.id = 99051
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 = 99051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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