UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11815257
11815257
11815259
11815259
11815261
11815261
39636591
39636591
39636592
39636592

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Popular Name: 2-[(3S)-1-benzyl-3-(o-tolyl)-2,5-dioxo-pyrrolidin-3-yl]-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]acet 2-[(3S)-1-benzyl-3-(o-tolyl)-2,5…

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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) 3.24 3.1 -40.7 1 6 1 62 476.641 9 ↓

Analogs

11815259
11815259
11815261
11815261
39636591
39636591
39636592
39636592
39636593
39636593

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1-benzyl-3-(o-tolyl)-2,5-dioxo-pyrrolidin-3-yl]-N-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]acet 2-[(3S)-1-benzyl-3-(o-tolyl)-2,5…

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) 3.24 2.53 -44.89 1 6 1 62 476.641 9 ↓

Analogs

11815261
11815261
39636591
39636591
39636592
39636592
39636593
39636593
39636594
39636594

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-1-benzyl-3-(o-tolyl)-2,5-dioxo-pyrrolidin-3-yl]-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]acet 2-[(3R)-1-benzyl-3-(o-tolyl)-2,5…

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) 3.24 2.66 -45.91 1 6 1 62 476.641 9 ↓

Analogs

39636591
39636591
39636592
39636592
39636593
39636593
39636594
39636594
39694818
39694818

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-1-benzyl-3-(o-tolyl)-2,5-dioxo-pyrrolidin-3-yl]-N-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]acet 2-[(3R)-1-benzyl-3-(o-tolyl)-2,5…

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) 3.24 2.1 -42.59 1 6 1 62 476.641 9 ↓

Parameters Provided:

ring.id = 47967
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 = 47967 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=47967&filter.purchasability=annotated

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