UCSF
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Analogs

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Popular Name: N-cyclohexyl-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzamide N-cyclohexyl-4-[(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) 5.29 11.89 -16.43 2 6 0 71 411.509 5 ↓

Analogs

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Popular Name: N-cyclohexyl-4-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzamide N-cyclohexyl-4-[[2-(4-methoxyphe…

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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) 5.34 11.19 -16.75 2 7 0 81 441.535 6 ↓
Lo Low (pH 4.5-6) 5.34 11.4 -38.75 3 7 1 82 442.543 6 ↓

Analogs

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Popular Name: 4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-cyclohexyl-benzamide 4-[[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) 5.96 12.41 -15.59 2 6 0 71 445.954 5 ↓

Analogs

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Popular Name: N-cyclohexyl-4-[[2-(p-tolyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzamide N-cyclohexyl-4-[[2-(p-tolyl)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) 5.74 12.57 -16.36 2 6 0 71 425.536 5 ↓
Lo Low (pH 4.5-6) 5.74 12.78 -36.33 3 6 1 73 426.544 5 ↓

Analogs

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Popular Name: N-cyclohexyl-4-[[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzamide N-cyclohexyl-4-[[2-(3,4-dimethox…

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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) 4.93 11.1 -19.94 2 8 0 90 471.561 7 ↓
Lo Low (pH 4.5-6) 4.93 11.45 -43.35 3 8 1 91 472.569 7 ↓

Parameters Provided:

ring.id = 390822
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 = 390822 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=390822&filter.purchasability=annotated

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