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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N4,N9-diphenylbenzo[f]benzofuran-4,9-diimine N4,N9-diphenylbenzo[f]benzofuran…

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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) 6.71 11.45 -9.79 0 3 0 38 348.405 2 ↓

Analogs

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Popular Name: N4,N9-bis(4-fluorophenyl)benzo[f]benzofuran-4,9-diimine N4,N9-bis(4-fluorophenyl)benzo[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) 7.04 11.58 -7.24 0 3 0 38 384.385 2 ↓

Analogs

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Popular Name: N4,N9-bis(4-methoxyphenyl)benzo[f]benzofuran-4,9-diimine N4,N9-bis(4-methoxyphenyl)benzo[…

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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) 6.83 10.07 -9.95 0 5 0 56 408.457 4 ↓

Analogs

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Popular Name: N4,N9-bis(4-chlorophenyl)benzo[f]benzofuran-4,9-diimine N4,N9-bis(4-chlorophenyl)benzo[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) 8.07 12.49 -6.68 0 3 0 38 417.295 2 ↓

Analogs

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Popular Name: N4,N9-bis(4-nitrophenyl)benzo[f]benzofuran-4,9-diimine N4,N9-bis(4-nitrophenyl)benzo[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) 6.63 12.86 -11.26 0 9 0 130 438.399 4 ↓

Analogs

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Popular Name: N4,N9-bis[4-(trifluoromethyl)phenyl]benzo[f]benzofuran-4,9-diimine N4,N9-bis[4-(trifluoromethyl)phe…

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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) 8.41 13.44 -7.19 0 3 0 38 484.399 4 ↓

Parameters Provided:

ring.id = 38985
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 = 38985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=38985&filter.purchasability=annotated

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