UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Imidazo[1,5-a]pyrazine, 5,6,7,8-tetrahydro-3-methyl-7-(phenylsulfonyl)- Imidazo[1,5-a]pyrazine, 5,6,7,8-…

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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) 0.89 5.42 -36.28 1 5 1 56 278.357 2 ↓
Mid Mid (pH 6-8) 0.89 4.95 -14.29 0 5 0 55 277.349 2 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide N-(4-methoxyphenyl)-3-methyl-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) 1.39 6.48 -40.15 2 6 1 61 287.343 2 ↓
Mid Mid (pH 6-8) 1.39 6.01 -13.85 1 6 0 59 286.335 2 ↓

Analogs

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Popular Name: 3-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide 3-methyl-N-phenyl-6,8-dihydro-5H…

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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) 1.33 7.2 -38.23 2 5 1 51 257.317 1 ↓
Mid Mid (pH 6-8) 1.33 6.73 -12.5 1 5 0 50 256.309 1 ↓

Analogs

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Popular Name: 1-Bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine 1-Bromo-5,6,7,8-tetrahydroimidaz…

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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 3.62 -50.96 2 3 1 34 203.063 0 ↓
Mid Mid (pH 6-8) 0.59 2.24 -7.42 1 3 0 30 202.055 0 ↓

Analogs

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Popular Name: Tert-butyl 1-bromo-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate Tert-butyl 1-bromo-5,6-dihydroim…

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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 6.66 -9.7 0 5 0 47 302.172 2 ↓

Analogs

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Popular Name: 7-(2-chloropyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine 7-(2-chloropyrimidin-4-yl)-6,8-d…

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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) 0.79 7.15 -40.65 1 5 1 48 236.686 1 ↓
Mid Mid (pH 6-8) 0.79 6.63 -10.33 0 5 0 47 235.678 1 ↓

Analogs

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Popular Name: 7-(2-chloropyrimidin-4-yl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine 7-(2-chloropyrimidin-4-yl)-3-met…

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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) 0.88 6.86 -36.85 1 5 1 48 250.713 1 ↓
Hi High (pH 8-9.5) 0.88 6.39 -13.68 0 5 0 47 249.705 1 ↓

Analogs

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Popular Name: 7-(6-chloropyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine 7-(6-chloropyrimidin-4-yl)-6,8-d…

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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) 0.81 7.8 -38.9 1 5 1 48 236.686 1 ↓
Mid Mid (pH 6-8) 0.81 7.29 -9.17 0 5 0 47 235.678 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(6-chloropyrimidin-4-yl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine 7-(6-chloropyrimidin-4-yl)-3-met…

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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) 0.90 7.51 -35.05 1 5 1 48 250.713 1 ↓

Parameters Provided:

ring.id = 390215
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 = 390215 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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