UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1802653
1802653

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Popular Name: [(2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] [(2-methyl-4-oxo-1-cyclohexa-2,5…

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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) 3.32 -2.67 -9.66 0 5 0 73 356.197 3 ↓

Analogs

5427024
5427024

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Popular Name: [(2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] [(2-methyl-4-oxo-1-cyclohexa-2,5…

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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) 2.45 -1.4 -14.14 0 8 0 119 322.298 4 ↓

Analogs

3077407
3077407
5232189
5232189

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Popular Name: [(2,3-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] [(2,3-dimethyl-4-oxo-1-cyclohexa…

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) 2.94 -1.66 -11.15 0 6 0 82 321.354 4 ↓

Parameters Provided:

ring.id = 68069
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 = 68069 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=68069&filter.purchasability=annotated

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