UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25378733
25378733
25378740
25378740
25378746
25378746
25378752
25378752
25384529
25384529

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Popular Name: N-[1-[(2R,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]-4-piperidyl]benzamide N-[1-[(2R,3S)-1-butyl-2-(4-metho…

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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) 3.80 10.9 -21.06 1 7 0 79 477.605 8 ↓

Analogs

25378733
25378733
25378740
25378740
25378746
25378746
25378752
25378752
25384529
25384529

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(2S,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]-4-piperidyl]benzamide N-[1-[(2S,3S)-1-butyl-2-(4-metho…

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) 3.80 11.11 -17.96 1 7 0 79 477.605 8 ↓

Analogs

25378733
25378733
25378740
25378740
25378746
25378746
25378752
25378752
25384529
25384529

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]-4-piperidyl]benzamide N-[1-[(2R,3R)-1-butyl-2-(4-metho…

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) 3.80 11.33 -18.05 1 7 0 79 477.605 8 ↓

Analogs

25378733
25378733
25378740
25378740
25378746
25378746
25378752
25378752
25379208
25379208

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(2S,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]-4-piperidyl]benzamide N-[1-[(2S,3R)-1-butyl-2-(4-metho…

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) 3.80 11.01 -20.79 1 7 0 79 477.605 8 ↓

Parameters Provided:

ring.id = 108220
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 = 108220 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=108220&filter.purchasability=annotated

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