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

Analogs

31862578
31862578
24083
24083

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-6-phenethyl-5,7-dihydro-4H-thieno[5,4-c]pyridin-3-yl)-(4-chlorophenyl)methanone (2-amino-6-phenethyl-5,7-dihydro…

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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 12.34 -46.9 3 3 1 48 397.951 5 ↓
Mid Mid (pH 6-8) 5.08 10.02 -7.92 2 3 0 46 396.943 5 ↓

Analogs

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Popular Name: [2-amino-6-[2-(4-nitrophenyl)ethyl]-5,7-dihydro-4H-thieno[5,4-c]pyridin-3-yl]-(4-chlorophenyl)methan [2-amino-6-[2-(4-nitrophenyl)eth…

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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) 5.04 10.69 -13.29 2 6 0 92 441.94 6 ↓
Lo Low (pH 4.5-6) 5.04 13.01 -63.59 3 6 1 93 442.948 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-amino-6-[2-(4-nitrophenyl)ethyl]-5,7-dihydro-4H-thieno[5,4-c]pyridin-3-yl]-phenyl-methanone [2-amino-6-[2-(4-nitrophenyl)eth…

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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) 4.36 10.18 -14.89 2 6 0 92 407.495 6 ↓
Lo Low (pH 4.5-6) 4.36 12.51 -63.29 3 6 1 93 408.503 6 ↓

Parameters Provided:

ring.id = 148752
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 = 148752 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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