UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11838838
11838838

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Popular Name: (6S)-11-methyl-N-[(5-methylpyrazin-2-yl)methyl]-9-oxo-6-(2-thienyl)-6,7-dihydropyrido[2,1-d][1,5]ben (6S)-11-methyl-N-[(5-methylpyraz…

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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) 3.60 -2.29 -22.15 1 6 0 77 474.611 4 ↓

Analogs

11838837
11838837

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Popular Name: (6R)-11-methyl-N-[(5-methylpyrazin-2-yl)methyl]-9-oxo-6-(2-thienyl)-6,7-dihydropyrido[2,1-d][1,5]ben (6R)-11-methyl-N-[(5-methylpyraz…

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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) 3.60 -2.76 -22.12 1 6 0 77 474.611 4 ↓

Analogs

11978573
11978573

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Popular Name: (6S)-11-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-(3-methyl-2-thienyl)-9-oxo-6,7-dihydropyrido[2,1-d (6S)-11-methyl-N-[(5-methylpyraz…

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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) 3.98 -2.01 -22.31 1 6 0 77 488.638 4 ↓

Analogs

11978566
11978566

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Popular Name: (6R)-11-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-(3-methyl-2-thienyl)-9-oxo-6,7-dihydropyrido[2,1-d (6R)-11-methyl-N-[(5-methylpyraz…

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) 3.98 -2.31 -21.96 1 6 0 77 488.638 4 ↓

Parameters Provided:

ring.id = 57915
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 = 57915 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=57915&filter.purchasability=annotated

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