UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

72729574
72729574

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-1,2-ethanediylbis(N-benzyl-2-methoxybenzamide) N,N'-1,2-ethanediylbis(N-benzyl-…

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) 5.41 3.11 -18.15 0 6 0 59 508.618 11 ↓

Analogs

25454327
25454327

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-1,2-ethanediylbis(N-benzyl-2-methylbenzamide) N,N'-1,2-ethanediylbis(N-benzyl-…

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 2.66 -11.87 0 4 0 41 476.62 9 ↓

Analogs

34684088
34684088

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-1,2-ethanediylbis(N-benzyl-3-methylbenzamide) N,N'-1,2-ethanediylbis(N-benzyl-…

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) 5.14 2.61 -12.66 0 4 0 41 476.62 9 ↓

Analogs

39332525
39332525
68311737
68311737
72091989
72091989
72729589
72729589

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-1,2-ethanediylbis(N-benzyl-4-methylbenzamide) N,N'-1,2-ethanediylbis(N-benzyl-…

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) 5.19 2.59 -14.44 0 4 0 41 476.62 9 ↓

Parameters Provided:

ring.id = 101739
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 = 101739 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=101739&filter.purchasability=annotated

Embed Link to Results