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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

538841
538841

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Popular Name: (8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-[[(2R)-tetrahydrofuran-2-yl]methyl]amine (8-fluoro-5H-pyrimido[5,4-b]indo…

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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) 1.38 -3.31 -9.58 2 5 0 62 286.31 3 ↓

Analogs

538840
538840

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Popular Name: (8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-[[(2S)-tetrahydrofuran-2-yl]methyl]amine (8-fluoro-5H-pyrimido[5,4-b]indo…

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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) 1.38 -3.36 -9.75 2 5 0 62 286.31 3 ↓

Analogs

540392
540392

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Popular Name: (8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-[[(2R)-tetrahydrofuran-2-yl]methyl]amine (8-methoxy-5H-pyrimido[5,4-b]ind…

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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) 2.25 -4.05 -11.35 2 6 0 72 298.346 4 ↓

Analogs

540391
540391

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-[[(2S)-tetrahydrofuran-2-yl]methyl]amine (8-methoxy-5H-pyrimido[5,4-b]ind…

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Activity (Go SEA)

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) 2.25 -4.09 -11.43 2 6 0 72 298.346 4 ↓

Parameters Provided:

ring.id = 221064
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 = 221064 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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