UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017917
35017917
35017919
35017919
35017921
35017921

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Popular Name: (3aR,8bR)-N1,N2-bis(4-methoxyphenyl)-3a,8b-dihydroacenaphthylene-1,2-diimine (3aR,8bR)-N1,N2-bis(4-methoxyphe…

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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) 5.49 10.74 -8.68 0 4 0 43 394.474 4 ↓

Analogs

35017919
35017919
35017921
35017921
35017915
35017915

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,8bR)-N1,N2-bis(4-methoxyphenyl)-3a,8b-dihydroacenaphthylene-1,2-diimine (3aS,8bR)-N1,N2-bis(4-methoxyphe…

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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) 5.49 11.32 -7.96 0 4 0 43 394.474 4 ↓

Analogs

35017921
35017921
35017915
35017915
35017917
35017917

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,8bS)-N1,N2-bis(4-methoxyphenyl)-3a,8b-dihydroacenaphthylene-1,2-diimine (3aR,8bS)-N1,N2-bis(4-methoxyphe…

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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) 5.49 11.1 -7.99 0 4 0 43 394.474 4 ↓

Analogs

35017915
35017915
35017917
35017917
35017919
35017919

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,8bS)-N1,N2-bis(4-methoxyphenyl)-3a,8b-dihydroacenaphthylene-1,2-diimine (3aS,8bS)-N1,N2-bis(4-methoxyphe…

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) 5.49 10.53 -8.66 0 4 0 43 394.474 4 ↓

Parameters Provided:

ring.id = 15181
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 = 15181 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=15181&filter.purchasability=annotated

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