UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: morpholino-[3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methanone morpholino-[3-[(2-phenylimidazo[…

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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) 2.98 9.56 -14.02 1 7 0 72 399.454 4 ↓

Analogs

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Popular Name: [3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-morpholino-methanone [3-[[2-(4-methoxyphenyl)imidazo[…

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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) 3.03 8.86 -14.82 1 8 0 81 429.48 5 ↓
Lo Low (pH 4.5-6) 3.03 8.96 -41.91 2 8 1 82 430.488 5 ↓

Analogs

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Popular Name: [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-morpholino-methanone [3-[[2-(4-chlorophenyl)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) 3.65 10.16 -13.84 1 7 0 72 433.899 4 ↓

Analogs

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Popular Name: [3-[[2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-morpholino-methanone [3-[[2-(4-methylsulfanylphenyl)i…

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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) 3.41 10.59 -14.43 1 7 0 72 445.548 5 ↓

Parameters Provided:

ring.id = 390887
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 = 390887 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=390887&filter.purchasability=annotated

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