UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-Phenylimidazo[1,5-a]pyrazine 3-Phenylimidazo[1,5-a]pyrazine

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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) 2.32 6.63 -8.87 0 3 0 30 195.225 1 ↓
Mid Mid (pH 6-8) 2.32 7.08 -32.53 1 3 1 31 196.233 1 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)imidazo[1,5-a]pyrazine 3-(2-chlorophenyl)imidazo[1,5-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) 2.95 7.25 -9.68 0 3 0 30 229.67 1 ↓
Mid Mid (pH 6-8) 2.95 7.66 -29.37 1 3 1 31 230.678 1 ↓

Analogs

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Popular Name: 3-(3,4-dichlorophenyl)imidazo[1,5-a]pyrazine 3-(3,4-dichlorophenyl)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) 3.60 7.6 -7.11 0 3 0 30 264.115 1 ↓
Mid Mid (pH 6-8) 3.60 8.05 -38.87 1 3 1 31 265.123 1 ↓

Analogs

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Popular Name: 3-(4-nitrophenyl)imidazo[1,5-a]pyrazine 3-(4-nitrophenyl)imidazo[1,5-a]p…

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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) 2.28 6.95 -12.39 0 6 0 76 240.222 2 ↓
Mid Mid (pH 6-8) 2.28 7.35 -49.41 1 6 1 77 241.23 2 ↓

Parameters Provided:

ring.id = 133221
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 = 133221 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=133221&filter.purchasability=annotated

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