UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15998913
15998913

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Popular Name: furan-2-carbonyl-[2-(trifluoromethyl)phenyl]BLAHdione furan-2-carbonyl-[2-(trifluorome…

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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) 4.01 12.37 -13.64 0 6 0 71 478.426 4 ↓

Analogs

15998913
15998913

Draw Identity 99% 90% 80% 70%

Popular Name: furan-2-carbonyl-[2-(trifluoromethyl)phenyl]BLAHdione furan-2-carbonyl-[2-(trifluorome…

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) 4.01 12.66 -15.08 0 6 0 71 478.426 4 ↓

Analogs

15990015
15990015

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Popular Name: (4-acetylphenyl)-(furan-2-carbonyl)BLAHdione (4-acetylphenyl)-(furan-2-carbon…

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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) 3.07 13.11 -24.06 0 7 0 88 452.466 4 ↓
Lo Low (pH 4.5-6) 3.07 13.11 -31.63 1 7 0 89 453.474 4 ↓

Parameters Provided:

ring.id = 7962
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 = 7962 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=7962&filter.purchasability=annotated

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