UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42110946
42110946

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Popular Name: 2-[ethyl-[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxo-imidazolidin-1-yl] 2-[ethyl-[(1S)-1-(3-methoxypheny…

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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) 1.97 5.61 -43.34 3 8 1 92 377.465 8 ↓
Hi High (pH 8-9.5) 2.15 4.4 -36.83 2 8 0 98 376.457 8 ↓

Analogs

42110944
42110944

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[ethyl-[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-[(4S)-4-ethyl-4-methyl-2,5-dioxo-imidazolidin-1-yl] 2-[ethyl-[(1S)-1-(3-methoxypheny…

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) 1.97 5.67 -43.38 3 8 1 92 377.465 8 ↓
Hi High (pH 8-9.5) 2.15 4.48 -37.31 2 8 0 98 376.457 8 ↓

Parameters Provided:

ring.id = 29412
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 = 29412 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=29412&filter.purchasability=annotated

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