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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 5.03 12.86 -8.74 0 6 0 59 428.602 4 ↓

Analogs

35552798
35552798
35847980
35847980

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Popular Name: 4-(4-allylpiperazin-1-yl)-2-cyclohexyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine 4-(4-allylpiperazin-1-yl)-2-cycl…

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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) 5.23 14.3 -42.43 1 4 1 33 397.612 4 ↓
Mid Mid (pH 6-8) 5.23 12.05 -5.85 0 4 0 32 396.604 4 ↓

Analogs

35865325
35865325
35865327
35865327

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Popular Name: 1-[4-(2-cyclohexyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]ethanone 1-[4-(2-cyclohexyl-5,6,7,8-tetra…

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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) 3.94 -2.4 -11.4 0 5 0 49 398.576 2 ↓

Analogs

4218018
4218018
35867795
35867795

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Popular Name: 2-cyclohexyl-4-(4-mesylpiperazino)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine 2-cyclohexyl-4-(4-mesylpiperazin…

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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) 3.96 -6.39 -11.95 0 6 0 66 434.631 3 ↓

Parameters Provided:

ring.id = 40559
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 = 40559 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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