UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25406389
25406389
25406392
25406392
37818277
37818277
37818306
37818306
37818307
37818307

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Popular Name: 8-(4-butylcyclohexanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-(4-butylcyclohexanecarbonyl)-1…

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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) 2.55 4.84 -12.22 2 6 0 79 335.448 4 ↓
Hi High (pH 8-9.5) 2.74 2.19 -44.19 1 6 -1 85 334.44 4 ↓

Analogs

44894568
44894568
54705171
54705171
57547579
57547579
59906207
59906207
59906209
59906209

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Popular Name: 8-(1-aminocyclohexanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-(1-aminocyclohexanecarbonyl)-1…

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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) 0.13 -0.62 -57.5 5 7 1 106 295.363 1 ↓
Hi High (pH 8-9.5) 0.31 -3.12 -41.52 3 7 -1 111 293.347 1 ↓
Mid Mid (pH 6-8) 0.13 -0.48 -11.45 4 7 0 105 294.355 1 ↓

Analogs

44894568
44894568
54705171
54705171
59905281
59905281
59905285
59905285
59906207
59906207

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-aminocyclohexanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-(4-aminocyclohexanecarbonyl)-1…

Find On: PubMed — Wikipedia — Google

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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) -1.08 -0.71 -50.67 5 7 1 106 295.363 1 ↓
Hi High (pH 8-9.5) -0.90 -3.37 -73.98 4 7 0 112 294.355 1 ↓

Parameters Provided:

ring.id = 145855
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 = 145855 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=145855&filter.purchasability=annotated

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