UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8990219
8990219
8992980
8992980

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Popular Name: benzoyl-methyl-(tetrahydrofuran-2-ylmethyl)BLAHdione benzoyl-methyl-(tetrahydrofuran-…

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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) 3.09 11.38 -12.99 0 6 0 67 442.515 4 ↓

Analogs

8990219
8990219
8992980
8992980

Draw Identity 99% 90% 80% 70%

Popular Name: benzoyl-methyl-(tetrahydrofuran-2-ylmethyl)BLAHdione benzoyl-methyl-(tetrahydrofuran-…

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) 3.09 11.49 -10.23 0 6 0 67 442.515 4 ↓

Analogs

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Popular Name: dimethyl-(4-methylbenzoyl)-(tetrahydrofuran-2-ylmethyl)BLAHdione dimethyl-(4-methylbenzoyl)-(tetr…

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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) 3.96 12.76 -12 0 6 0 67 470.569 4 ↓

Analogs

8992469
8992469
8992470
8992470

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Popular Name: benzoyl-bromo-[[(2S)-tetrahydrofuran-2-yl]methyl]BLAHdione benzoyl-bromo-[[(2S)-tetrahydrof…

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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) 3.82 11.5 -8.99 0 6 0 67 507.384 4 ↓

Parameters Provided:

ring.id = 7068
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 = 7068 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=7068&filter.purchasability=annotated

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