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Analogs

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Popular Name: 3-[2-(4-amino-1-piperidyl)ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-(4-amino-1-piperidyl)ethyl]…

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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) -0.72 -0.32 -47.22 4 6 1 80 255.342 3 ↓
Lo Low (pH 4.5-6) -0.72 1.9 -106.71 5 6 2 81 256.35 3 ↓

Analogs

41104560
41104560

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

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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) -1.53 -1.71 -48.91 4 6 1 80 227.288 3 ↓
Lo Low (pH 4.5-6) -1.53 0.52 -107.66 5 6 2 81 228.296 3 ↓

Analogs

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Popular Name: 1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)ethyl]-4-methyl-piperidine-4-carboxylic 1-[2-(4,4-dimethyl-2,5-dioxo-imi…

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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) 0.28 5.47 -59.64 2 7 0 94 297.355 4 ↓

Analogs

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Popular Name: (3R)-1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)ethyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-(4,4-dimethyl-2,5-diox…

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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) 0.28 5.64 -52.02 2 7 0 94 297.355 4 ↓
Hi High (pH 8-9.5) 0.28 3.79 -53.12 1 7 -1 93 296.347 4 ↓

Analogs

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Popular Name: (3S)-1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)ethyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[2-(4,4-dimethyl-2,5-diox…

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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) 0.28 5.67 -52.71 2 7 0 94 297.355 4 ↓
Hi High (pH 8-9.5) 0.28 3.81 -53.55 1 7 -1 93 296.347 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.22 4.78 -41.72 2 7 1 80 284.336 6 ↓
Mid Mid (pH 6-8) 0.22 2.57 -12.39 1 7 0 79 283.328 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.22 4.78 -41.76 2 7 1 80 284.336 6 ↓
Mid Mid (pH 6-8) 0.22 2.56 -12.46 1 7 0 79 283.328 6 ↓

Analogs

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

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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) -1.04 -0.09 -37.8 3 6 1 74 228.272 3 ↓
Hi High (pH 8-9.5) -1.04 -2.32 -11.1 2 6 0 73 227.264 3 ↓

Analogs

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

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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) -1.04 -0.09 -37.76 3 6 1 74 228.272 3 ↓
Hi High (pH 8-9.5) -1.04 -2.31 -11.02 2 6 0 73 227.264 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.65 5.28 -43.38 2 7 1 80 298.363 5 ↓
Hi High (pH 8-9.5) 0.65 3.05 -10.91 1 7 0 79 297.355 5 ↓

Analogs

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Popular Name: methyl methyl

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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) -0.16 3.91 -44.69 2 7 1 80 270.309 5 ↓
Hi High (pH 8-9.5) -0.16 1.68 -12.57 1 7 0 79 269.301 5 ↓

Analogs

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Popular Name: 3-[2-(4-hydroxy-1-piperidyl)ethyl]imidazolidine-2,4-dione 3-[2-(4-hydroxy-1-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) -1.77 -0.08 -39.28 3 6 1 74 228.272 3 ↓
Hi High (pH 8-9.5) -1.77 -2.29 -10.88 2 6 0 73 227.264 3 ↓

Analogs

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

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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) -0.76 1.89 -96.04 5 6 2 81 256.35 5 ↓

Analogs

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Popular Name: 3-[2-[4-(2-aminoethyl)-1-piperidyl]ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-[4-(2-aminoethyl)-1-piperid…

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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) 0.04 3.28 -95.2 5 6 2 81 284.404 5 ↓
Hi High (pH 8-9.5) 0.04 1.05 -48.71 4 6 1 80 283.396 5 ↓

Analogs

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Popular Name: 3-[2-[4-[2-(methylamino)ethyl]-1-piperidyl]ethyl]imidazolidine-2,4-dione 3-[2-[4-[2-(methylamino)ethyl]-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) 0.22 3.77 -92.49 4 6 2 70 270.377 6 ↓

Analogs

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Popular Name: 5,5-dimethyl-3-[2-[4-[2-(methylamino)ethyl]-1-piperidyl]ethyl]imidazolidine-2,4-dione 5,5-dimethyl-3-[2-[4-[2-(methyla…

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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) 1.03 5.16 -91.29 4 6 2 70 298.431 6 ↓
Hi High (pH 8-9.5) 1.03 2.93 -44.07 3 6 1 69 297.423 6 ↓

Analogs

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

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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) 0.16 2 -40.29 3 6 1 69 269.369 6 ↓
Mid Mid (pH 6-8) 0.16 3.59 -100.47 4 6 2 70 270.377 6 ↓

Analogs

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

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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) 0.16 1.45 -45.3 3 6 1 69 269.369 6 ↓
Mid Mid (pH 6-8) 0.16 3.58 -101.85 4 6 2 70 270.377 6 ↓

Analogs

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Popular Name: 5,5-dimethyl-3-[2-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]ethyl]imidazolidine-2,4-dione 5,5-dimethyl-3-[2-[(2R)-2-[2-(me…

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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) 0.97 2.83 -42.23 3 6 1 69 297.423 6 ↓
Mid Mid (pH 6-8) 0.97 4.98 -99.55 4 6 2 70 298.431 6 ↓

Analogs

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Popular Name: 5,5-dimethyl-3-[2-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]ethyl]imidazolidine-2,4-dione 5,5-dimethyl-3-[2-[(2S)-2-[2-(me…

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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) 0.97 3.29 -41.63 3 6 1 69 297.423 6 ↓
Mid Mid (pH 6-8) 0.97 4.97 -100.83 4 6 2 70 298.431 6 ↓

Parameters Provided:

ring.id = 110382
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 = 110382 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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