UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

541750
541750
545245
545245

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Popular Name: 2-(4-fluorophenyl)-6,7-dimethyl-1,4-naphthoquinone 2-(4-fluorophenyl)-6,7-dimethyl-…

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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) 4.36 3.16 -6.84 0 2 0 34 280.298 1 ↓

Analogs

779661
779661
1226312
1226312
539277
539277
290907
290907

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Popular Name: 2-(4-bromophenyl)-6,7-dimethyl-1,4-naphthoquinone 2-(4-bromophenyl)-6,7-dimethyl-1…

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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) 5.00 1.66 -6.43 0 2 0 34 341.204 1 ↓

Analogs

34469333
34469333
36444245
36444245

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Popular Name: 2-chloro-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,4-naphthoquinone 2-chloro-3-(3,5-ditert-butyl-4-h…

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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) 7.05 2.94 -7.37 1 3 0 54 396.914 3 ↓

Parameters Provided:

ring.id = 221147
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 = 221147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=221147&filter.purchasability=annotated

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