UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide N-[2-[4-(difluoromethoxy)phenyl]…

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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) 1.86 3.58 -25.3 2 7 0 97 363.32 6 ↓
Mid Mid (pH 6-8) 2.32 1.45 -56.35 1 7 -1 100 362.312 6 ↓

Analogs

21005010
21005010

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Popular Name: 3,6-dimethyl-4-oxo-N-[2-(p-tolyl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide 3,6-dimethyl-4-oxo-N-[2-(p-tolyl…

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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) 1.77 6.41 -22.06 1 6 0 77 325.368 4 ↓

Analogs

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Popular Name: 3-isobutyl-6-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide 3-isobutyl-6-methyl-4-oxo-N-[2-(…

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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) 1.13 2.92 -27.99 3 9 0 137 432.502 7 ↓

Parameters Provided:

ring.id = 213495
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 = 213495 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=213495&filter.purchasability=annotated

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