UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36875860
36875860

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetamide N-[(3S)-1-benzylpyrrolidin-3-yl]…

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) 2.25 9.02 -50.53 3 7 1 83 419.505 5 ↓

Analogs

36875859
36875859

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetamide N-[(3R)-1-benzylpyrrolidin-3-yl]…

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) 2.25 8.87 -50.06 3 7 1 83 419.505 5 ↓

Analogs

26356035
26356035
26356038
26356038

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-ethyl-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrol 2-[(4S)-2,5-dioxospiro[imidazoli…

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) 2.92 12.45 -36.75 2 7 1 74 461.586 6 ↓
Hi High (pH 8-9.5) 2.92 10.4 -14.4 1 7 0 73 460.578 6 ↓

Analogs

26356035
26356035
26356038
26356038

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrol 2-[(4S)-2,5-dioxospiro[imidazoli…

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) 2.92 11.91 -46.47 2 7 1 74 461.586 6 ↓
Hi High (pH 8-9.5) 2.92 9.79 -13.43 1 7 0 73 460.578 6 ↓

Parameters Provided:

ring.id = 120652
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 = 120652 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=120652&filter.purchasability=annotated

Embed Link to Results