UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12855512
12855512
16506675
16506675
16506679
16506679
16506891
16506891
16507313
16507313

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Popular Name: 3-(4-methoxyphenyl)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one 3-(4-methoxyphenyl)-1-[(4S)-4-ph…

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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) 5.09 12.25 -11.3 0 3 0 30 377.509 5 ↓

Analogs

16506675
16506675
16506679
16506679
16506891
16506891
16507313
16507313
16507316
16507316

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one 3-(4-methoxyphenyl)-1-[(4R)-4-ph…

Find On: PubMed — Wikipedia — Google

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) 5.09 12.13 -9.83 0 3 0 30 377.509 5 ↓

Parameters Provided:

ring.id = 108209
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 = 108209 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=108209&filter.purchasability=annotated

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