UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42169714
42169714
42169716
42169716
37817526
37817526
37817527
37817527

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Popular Name: 1-[1-(cyclohexanecarbonyl)-4-piperidyl]imidazolidin-2-one 1-[1-(cyclohexanecarbonyl)-4-pip…

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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) 1.54 5.25 -17.04 1 5 0 53 279.384 2 ↓

Analogs

49317669
49317669
49317671
49317671
33038522
33038522

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Popular Name: 1-[1-(1-aminocyclohexanecarbonyl)-4-piperidyl]imidazolidin-2-one 1-[1-(1-aminocyclohexanecarbonyl…

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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) 0.63 2.26 -48.57 4 6 1 80 295.407 2 ↓
Mid Mid (pH 6-8) 0.63 2.43 -15.28 3 6 0 79 294.399 2 ↓

Analogs

49317669
49317669
49317671
49317671
62500387
62500387
33038522
33038522

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(4-aminocyclohexanecarbonyl)-4-piperidyl]imidazolidin-2-one 1-[1-(4-aminocyclohexanecarbonyl…

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) -0.58 2.5 -58.45 4 6 1 80 295.407 2 ↓

Parameters Provided:

ring.id = 550597
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 = 550597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=550597&filter.purchasability=annotated

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