UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12402019
12402019

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Popular Name: N-benzoyl-N-[(5S)-5-methyl-4-methylene-5-(2-methyl-2-phenyl-propyl)-2-oxo-oxazolidin-3-yl]benzamide N-benzoyl-N-[(5S)-5-methyl-4-met…

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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) 6.36 6.06 -23.78 0 6 0 67 468.553 6 ↓

Analogs

12402018
12402018

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Popular Name: N-benzoyl-N-[(5R)-5-methyl-4-methylene-5-(2-methyl-2-phenyl-propyl)-2-oxo-oxazolidin-3-yl]benzamide N-benzoyl-N-[(5R)-5-methyl-4-met…

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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) 6.36 6.02 -24.28 0 6 0 67 468.553 6 ↓

Analogs

12402534
12402534
12402535
12402535
12402536
12402536
15319089
15319089
15319092
15319092

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Popular Name: dibenzyl-trimethyl-BLAHdione dibenzyl-trimethyl-BLAHdione

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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) 5.19 2.04 -21.51 0 6 0 59 432.52 4 ↓

Analogs

12402535
12402535
12402536
12402536
15319089
15319089
15319092
15319092
12402533
12402533

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Popular Name: dibenzyl-trimethyl-BLAHdione dibenzyl-trimethyl-BLAHdione

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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) 5.19 2.12 -21.29 0 6 0 59 432.52 4 ↓

Analogs

12402536
12402536
15319089
15319089
15319092
15319092
12402533
12402533
12402534
12402534

Draw Identity 99% 90% 80% 70%

Popular Name: dibenzyl-trimethyl-BLAHdione dibenzyl-trimethyl-BLAHdione

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) 5.19 2.08 -21.79 0 6 0 59 432.52 4 ↓

Analogs

15319089
15319089
15319092
15319092
12402533
12402533
12402534
12402534

Draw Identity 99% 90% 80% 70%

Popular Name: dibenzyl-trimethyl-BLAHdione dibenzyl-trimethyl-BLAHdione

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) 5.19 2.11 -21.02 0 6 0 59 432.52 4 ↓

Parameters Provided:

ring.id = 100638
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 = 100638 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=100638&filter.purchasability=annotated

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