UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4Z)-2-morpholino-4-(2H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-1H-imidazol-5-one (4Z)-2-morpholino-4-(2H-pyrrolo[…

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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) 0.41 4.63 -43.45 2 7 1 85 298.326 2 ↓

Analogs

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Popular Name: (4Z)-2-(4-methyl-1-piperidyl)-4-(2H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-1H-imidazol-5-one (4Z)-2-(4-methyl-1-piperidyl)-4-…

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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) 1.72 7.68 -41.76 2 6 1 76 310.381 2 ↓

Analogs

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Popular Name: (4Z)-2-[(2R)-2-methylmorpholin-4-yl]-4-(2H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-1H-imidazol-5-one (4Z)-2-[(2R)-2-methylmorpholin-4…

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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) 0.78 5.4 -43.37 2 7 1 85 312.353 2 ↓

Analogs

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Popular Name: (4Z)-2-[(4-methylcyclohexyl)amino]-4-(2H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-1H-imidazol-5-one (4Z)-2-[(4-methylcyclohexyl)amin…

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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) 2.00 7.06 -28.03 2 6 0 87 323.4 3 ↓
Lo Low (pH 4.5-6) 2.00 7.64 -41.29 3 6 1 85 324.408 3 ↓

Analogs

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Popular Name: 4-[5-(4-chlorophenyl)-2H-pyrrolo[2,3-b]pyridin-3-yl]benzoic 4-[5-(4-chlorophenyl)-2H-pyrrolo…

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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) 5.08 10.82 -65.74 1 4 0 67 348.789 3 ↓
Lo Low (pH 4.5-6) 5.08 11.27 -139.74 2 4 1 68 349.797 3 ↓

Analogs

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Popular Name: 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde 1H-pyrrolo[2,3-b]pyridine-3-carb…

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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) 0.78 2.75 -32.37 1 3 1 44 147.157 1 ↓

Parameters Provided:

ring.id = 231153
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 = 231153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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