UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16756330
16756330
16756333
16756333

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Popular Name: N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3R)-2-oxoazepan-3-yl]-1-phenyl-2-thioxo-imidazolidin-4-yl]acet N-(4-methoxyphenyl)-2-[(4S)-5-ox…

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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) 4.00 9.75 -32.47 2 8 0 91 466.563 6 ↓

Analogs

16756330
16756330
16756333
16756333

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[(4R)-5-oxo-3-[(3R)-2-oxoazepan-3-yl]-1-phenyl-2-thioxo-imidazolidin-4-yl]acet N-(4-methoxyphenyl)-2-[(4R)-5-ox…

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) 4.00 9.76 -29.46 2 8 0 91 466.563 6 ↓

Analogs

16756330
16756330
16756333
16756333

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-thioxo-imidazolidin-4-yl]acet N-(4-methoxyphenyl)-2-[(4S)-5-ox…

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) 4.00 8.14 -16.39 2 8 0 91 466.563 6 ↓

Analogs

16756330
16756330
16756333
16756333

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[(4R)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-thioxo-imidazolidin-4-yl]acet N-(4-methoxyphenyl)-2-[(4R)-5-ox…

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) 4.00 7.25 -24.34 2 8 0 91 466.563 6 ↓

Parameters Provided:

ring.id = 95530
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 = 95530 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=95530&filter.purchasability=annotated

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