UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide 2-[(4R)-2,5-dioxoimidazolidin-4-…

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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) -0.48 -2.86 -19.44 4 8 0 116 268.273 3 ↓
Hi High (pH 8-9.5) -0.30 -5.51 -49.17 3 8 -1 123 267.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide 2-[(4R)-2,5-dioxoimidazolidin-4-…

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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) -0.48 -3.64 -15.54 4 8 0 116 268.273 3 ↓
Hi High (pH 8-9.5) -0.30 -6.29 -49.47 3 8 -1 123 267.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide 2-[(4S)-2,5-dioxoimidazolidin-4-…

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) -0.48 -2.86 -19.31 4 8 0 116 268.273 3 ↓
Hi High (pH 8-9.5) -0.30 -5.51 -49.04 3 8 -1 123 267.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide 2-[(4S)-2,5-dioxoimidazolidin-4-…

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) -0.48 -3.64 -15.03 4 8 0 116 268.273 3 ↓
Hi High (pH 8-9.5) -0.30 -6.29 -48.31 3 8 -1 123 267.265 3 ↓

Parameters Provided:

ring.id = 249984
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 = 249984 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=249984&filter.purchasability=annotated

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