UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4S)-8-fluorothiochroman-4-yl]propanamide 3-[(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) -0.12 2.03 -19.26 3 6 0 87 337.376 4 ↓
Hi High (pH 8-9.5) 0.06 -0.63 -50.38 2 6 -1 94 336.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4R)-8-fluorothiochroman-4-yl]propanamide 3-[(4R)-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) -0.12 2.03 -19.23 3 6 0 87 337.376 4 ↓
Hi High (pH 8-9.5) 0.06 -0.63 -50.65 2 6 -1 94 336.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4S)-8-fluorothiochroman-4-yl]propanamide 3-[(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) -0.12 2.03 -19.23 3 6 0 87 337.376 4 ↓
Hi High (pH 8-9.5) 0.06 -0.63 -50.63 2 6 -1 94 336.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4R)-8-fluorothiochroman-4-yl]propanamide 3-[(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) -0.12 2.03 -19.26 3 6 0 87 337.376 4 ↓
Hi High (pH 8-9.5) 0.06 -0.63 -50.41 2 6 -1 94 336.368 4 ↓

Parameters Provided:

ring.id = 175244
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 = 175244 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=175244&filter.purchasability=annotated

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