UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48544037
48544037
48544038
48544038
40515854
40515854
40515856
40515856

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Popular Name: 3-(2-piperidin-2-ylethyl)imidazolidine-2,4-dione 3-(2-piperidin-2-ylethyl)imidazo…

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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 1.89 -38.98 3 5 1 66 212.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-piperidin-2-ylethyl)imidazolidine-2,4-dione 3-(2-piperidin-2-ylethyl)imidazo…

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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 1.89 -40.24 3 5 1 66 212.273 3 ↓

Analogs

48544037
48544037
48544038
48544038

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Popular Name: 5,5-dimethyl-3-(2-piperidin-2-ylethyl)imidazolidine-2,4-dione 5,5-dimethyl-3-(2-piperidin-2-yl…

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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) 0.94 3.27 -38.74 3 5 1 66 240.327 3 ↓

Analogs

48544037
48544037
48544038
48544038

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-3-(2-piperidin-2-ylethyl)imidazolidine-2,4-dione 5,5-dimethyl-3-(2-piperidin-2-yl…

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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) 0.94 3.27 -37.56 3 5 1 66 240.327 3 ↓

Analogs

49126654
49126654
49126657
49126657

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Popular Name: (5R)-3-[2-[(2S)-2-piperidyl]ethyl]-5-propyl-imidazolidine-2,4-dione (5R)-3-[2-[(2S)-2-piperidyl]ethy…

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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) 1.55 4.25 -39.11 3 5 1 66 254.354 5 ↓

Analogs

49126654
49126654
49126657
49126657

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-[(2S)-2-piperidyl]ethyl]-5-propyl-imidazolidine-2,4-dione (5S)-3-[2-[(2S)-2-piperidyl]ethy…

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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) 1.55 4.25 -39.06 3 5 1 66 254.354 5 ↓

Analogs

49126654
49126654
49126657
49126657

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-[(2R)-2-piperidyl]ethyl]-5-propyl-imidazolidine-2,4-dione (5R)-3-[2-[(2R)-2-piperidyl]ethy…

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) 1.55 4.25 -37.94 3 5 1 66 254.354 5 ↓

Analogs

49126654
49126654
49126657
49126657

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-[(2R)-2-piperidyl]ethyl]-5-propyl-imidazolidine-2,4-dione (5S)-3-[2-[(2R)-2-piperidyl]ethy…

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) 1.55 4.25 -37.85 3 5 1 66 254.354 5 ↓

Analogs

48544037
48544037
48544038
48544038
40515854
40515854
40515856
40515856
40515833
40515833

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-ethyl-5-methyl-3-[2-[(2S)-2-piperidyl]ethyl]imidazolidine-2,4-dione (5R)-5-ethyl-5-methyl-3-[2-[(2S)…

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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) 1.44 4.05 -38.5 3 5 1 66 254.354 4 ↓

Analogs

48544037
48544037
48544038
48544038
40515854
40515854
40515856
40515856
40515833
40515833

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-ethyl-5-methyl-3-[2-[(2S)-2-piperidyl]ethyl]imidazolidine-2,4-dione (5S)-5-ethyl-5-methyl-3-[2-[(2S)…

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) 1.44 4.12 -38.51 3 5 1 66 254.354 4 ↓

Analogs

48544037
48544037
48544038
48544038
40515854
40515854
40515856
40515856
40515833
40515833

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-ethyl-5-methyl-3-[2-[(2R)-2-piperidyl]ethyl]imidazolidine-2,4-dione (5R)-5-ethyl-5-methyl-3-[2-[(2R)…

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) 1.44 4.05 -37.39 3 5 1 66 254.354 4 ↓

Analogs

48544037
48544037
48544038
48544038
40515854
40515854
40515856
40515856
40515833
40515833

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-ethyl-5-methyl-3-[2-[(2R)-2-piperidyl]ethyl]imidazolidine-2,4-dione (5S)-5-ethyl-5-methyl-3-[2-[(2R)…

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) 1.44 4.12 -37.33 3 5 1 66 254.354 4 ↓

Analogs

48544037
48544037
48544038
48544038
49064794
49064794
40515856
40515856
40515854
40515854

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-[2-[(2S)-2-piperidyl]ethyl]imidazolidine-2,4-dione 1-methyl-3-[2-[(2S)-2-piperidyl]…

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) 0.37 4.29 -39.86 2 5 1 57 226.3 3 ↓

Analogs

48544037
48544037
48544038
48544038
49064794
49064794
40515856
40515856
40515854
40515854

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-[2-[(2R)-2-piperidyl]ethyl]imidazolidine-2,4-dione 1-methyl-3-[2-[(2R)-2-piperidyl]…

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) 0.37 4.29 -38.42 2 5 1 57 226.3 3 ↓

Parameters Provided:

ring.id = 566504
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 = 566504 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=566504&filter.purchasability=annotated

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