UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16576917
16576917

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Popular Name: 9-(dicyanomethylene)-2,7-dinitro-N-[(1R)-1-phenylethyl]fluorene-4-carboxamide 9-(dicyanomethylene)-2,7-dinitro…

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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) 4.52 13.63 -12.49 1 10 0 168 465.425 5 ↓

Analogs

16576914
16576914

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Popular Name: 9-(dicyanomethylene)-2,7-dinitro-N-[(1S)-1-phenylethyl]fluorene-4-carboxamide 9-(dicyanomethylene)-2,7-dinitro…

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) 4.52 13.63 -12.54 1 10 0 168 465.425 5 ↓

Parameters Provided:

ring.id = 256220
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 = 256220 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=256220&filter.purchasability=annotated

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