UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-(4-methyl-2-oxo-chromen-7-yl)oxyethoxy]benzoic 3-[2-(4-methyl-2-oxo-chromen-7-y…

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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) 3.99 2.12 -68.32 0 6 -1 89 339.323 6 ↓

Analogs

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Popular Name: 4-methyl-7-[2-(2-nitrophenoxy)ethoxy]chromen-2-one 4-methyl-7-[2-(2-nitrophenoxy)et…

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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) 4.02 11.05 -25.77 0 7 0 95 341.319 6 ↓

Analogs

6421248
6421248
6421252
6421252
6421254
6421254
6421280
6421280
38589891
38589891

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Popular Name: 4-methyl-7-(2-phenoxyethoxy)-2H-chromen-2-one 4-methyl-7-(2-phenoxyethoxy)-2H-…

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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) 4.11 2.54 -16.85 0 4 0 48 296.322 5 ↓

Analogs

6421248
6421248

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Popular Name: 7-[2-(4-tert-butylphenoxy)ethoxy]-4-methyl-coumarin 7-[2-(4-tert-butylphenoxy)ethoxy…

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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) 5.81 3.69 -16.4 0 4 0 48 352.43 6 ↓

Analogs

6421252
6421252

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Popular Name: 7-[2-(3-methoxyphenoxy)ethoxy]-4-methyl-2H-chromen-2-one 7-[2-(3-methoxyphenoxy)ethoxy]-4…

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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) 4.14 2.56 -19.2 0 5 0 57 326.348 6 ↓

Parameters Provided:

ring.id = 41701
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 = 41701 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=41701&filter.purchasability=annotated

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