UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(3S)-3-[4,4-dimethyl-3-[[(2R)-oxiran-2-yl]methyl]-2,5-dioxo-imidazolidin-1-yl]-3-[[(2R)-oxiran-2- 3-[(3S)-3-[4,4-dimethyl-3-[[(2R)…

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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) -0.12 3.09 -30.03 0 12 0 128 480.518 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-[4,4-dimethyl-3-[[(2R)-oxiran-2-yl]methyl]-2,5-dioxo-imidazolidin-1-yl]-3-[[(2R)-oxiran-2- 3-[(3S)-3-[4,4-dimethyl-3-[[(2R)…

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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) -0.12 3.19 -23.71 0 12 0 128 480.518 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-[4,4-dimethyl-3-[[(2R)-oxiran-2-yl]methyl]-2,5-dioxo-imidazolidin-1-yl]-3-[[(2R)-oxiran-2- 3-[(3R)-3-[4,4-dimethyl-3-[[(2R)…

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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) -0.12 3.26 -31.48 0 12 0 128 480.518 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-[4,4-dimethyl-3-[[(2R)-oxiran-2-yl]methyl]-2,5-dioxo-imidazolidin-1-yl]-3-[[(2R)-oxiran-2- 3-[(3R)-3-[4,4-dimethyl-3-[[(2R)…

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) -0.12 3.36 -26.5 0 12 0 128 480.518 11 ↓

Parameters Provided:

ring.id = 197779
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 = 197779 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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