UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[8-(1,1-dimethylpropyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-(trifluoromethyl)cyclohexyl] 2-[8-(1,1-dimethylpropyl)-2,4-di…

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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) 4.42 8.41 -17.53 2 6 0 79 445.526 6 ↓

Analogs

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Popular Name: 2-(1,3-diketo-8-methyl-2,4-diazaspiro[4.5]decan-2-yl)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide 2-(1,3-diketo-8-methyl-2,4-diaza…

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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) 2.92 6.24 -13.33 2 6 0 79 349.475 3 ↓

Analogs

4513548
4513548
7287662
7287662
7287688
7287688
7287690
7287690
7426870
7426870

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Popular Name: N-cyclohexyl-2-(2,4-diketo-8-methyl-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-acetamide N-cyclohexyl-2-(2,4-diketo-8-met…

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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) 2.18 7.43 -13.4 1 6 0 70 335.448 3 ↓

Analogs

39544406
39544406
39544408
39544408
39544410
39544410
39544492
39544492
39570259
39570259

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-(1,1-dimethylpropyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]ace 2-[8-(1,1-dimethylpropyl)-2,4-di…

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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) 4.34 8.44 -12.48 2 6 0 79 391.556 5 ↓

Analogs

39544406
39544406
39544408
39544408
39544410
39544410
39544492
39544492
39570259
39570259

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-(1,1-dimethylpropyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S,2S)-2-methylcyclohexyl]ace 2-[8-(1,1-dimethylpropyl)-2,4-di…

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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) 4.34 8.04 -13.03 2 6 0 79 391.556 5 ↓

Analogs

39544406
39544406
39544408
39544408
39544410
39544410
39544492
39544492
39570259
39570259

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-(1,1-dimethylpropyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]ace 2-[8-(1,1-dimethylpropyl)-2,4-di…

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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) 4.34 8.04 -13.03 2 6 0 79 391.556 5 ↓

Analogs

39544406
39544406
39544408
39544408
39544410
39544410
39544492
39544492
39570259
39570259

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-(1,1-dimethylpropyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S,2R)-2-methylcyclohexyl]ace 2-[8-(1,1-dimethylpropyl)-2,4-di…

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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) 4.34 8.79 -12 2 6 0 79 391.556 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[8-(1,1-dimethylpropyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-acetamide N-cyclohexyl-2-[8-(1,1-dimethylp…

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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) 3.84 9.29 -13.26 1 6 0 70 391.556 5 ↓

Parameters Provided:

ring.id = 127825
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 = 127825 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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