UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37981517
37981517
8916607
8916607

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Popular Name: N,N'-dicyclopropyl-N,N'-bis[(2-fluorophenyl)methyl]terephthalamide N,N'-dicyclopropyl-N,N'-bis[(2-f…

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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) 3.63 13.26 -14.46 0 4 0 41 460.524 8 ↓

Analogs

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Popular Name: N,N'-dicyclopropyl-N,N'-bis[(4-methoxyphenyl)methyl]terephthalamide N,N'-dicyclopropyl-N,N'-bis[(4-m…

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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) 3.51 13.09 -15.18 0 6 0 59 484.596 10 ↓

Analogs

24337592
24337592
37980296
37980296
37980297
37980297
37983418
37983418

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-dicyclopropyl-N,N'-bis[(4-fluorophenyl)methyl]terephthalamide N,N'-dicyclopropyl-N,N'-bis[(4-f…

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) 3.73 14.83 -15.08 0 4 0 41 460.524 8 ↓

Parameters Provided:

ring.id = 105108
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 = 105108 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=105108&filter.purchasability=annotated

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