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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-[2-(4-amino-1-piperidyl)ethyl]pyrrolidine-2,5-dione 1-[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) -1.32 0.81 -48.44 3 5 1 68 226.3 3 ↓
Lo Low (pH 4.5-6) -1.32 3.05 -106.32 4 5 2 69 227.308 3 ↓

Analogs

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Popular Name: 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methyl-piperidine-4-carboxylic 1-[2-(2,5-dioxopyrrolidin-1-yl)e…

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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) -0.32 6.63 -60.55 1 6 0 82 268.313 4 ↓

Analogs

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Popular Name: 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethyl-piperidine-4-carboxylic 1-[2-(2,5-dioxopyrrolidin-1-yl)e…

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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) 0.02 7.1 -59.73 1 6 0 82 282.34 5 ↓

Analogs

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Popular Name: 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-propyl-piperidine-4-carboxylic 1-[2-(2,5-dioxopyrrolidin-1-yl)e…

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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) 0.57 7.84 -59.62 1 6 0 82 296.367 6 ↓

Analogs

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Popular Name: (3S)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[2-(2,5-dioxopyrrolidin-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) -0.32 6.81 -52.79 1 6 0 82 268.313 4 ↓
Hi High (pH 8-9.5) -0.32 4.95 -55.17 0 6 -1 81 267.305 4 ↓

Analogs

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Popular Name: (3R)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-(2,5-dioxopyrrolidin-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) -0.32 6.78 -52.44 1 6 0 82 268.313 4 ↓
Hi High (pH 8-9.5) -0.32 4.92 -55.09 0 6 -1 81 267.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[2-(2,5-dioxopyrrolidin-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) 0.02 7.34 -39.5 1 6 0 82 282.34 5 ↓
Hi High (pH 8-9.5) 0.02 5.77 -55.07 0 6 -1 81 281.332 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[2-(2,5-dioxopyrrolidin-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) 0.02 7.23 -51.27 1 6 0 82 282.34 5 ↓
Hi High (pH 8-9.5) 0.02 5.39 -54.37 0 6 -1 81 281.332 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[2-(2,5-dioxopyrrolidin-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) 0.57 8.1 -39.41 1 6 0 82 296.367 6 ↓
Hi High (pH 8-9.5) 0.57 6.53 -55.51 0 6 -1 81 295.359 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[2-(2,5-dioxopyrrolidin-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) 0.57 8.17 -40.75 1 6 0 82 296.367 6 ↓
Hi High (pH 8-9.5) 0.57 6.52 -57.7 0 6 -1 81 295.359 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) 0.43 7.31 -40.14 1 6 1 68 283.348 6 ↓
Mid Mid (pH 6-8) 0.43 5.08 -12.1 0 6 0 67 282.34 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) 0.43 7.31 -40.16 1 6 1 68 283.348 6 ↓
Mid Mid (pH 6-8) 0.43 5.08 -12.11 0 6 0 67 282.34 6 ↓

Analogs

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Popular Name: 1-[2-[(3S)-3-hydroxy-1-piperidyl]ethyl]pyrrolidine-2,5-dione 1-[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) -0.82 2.44 -36.31 2 5 1 62 227.284 3 ↓
Hi High (pH 8-9.5) -0.82 0.21 -10.85 1 5 0 61 226.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3R)-3-hydroxy-1-piperidyl]ethyl]pyrrolidine-2,5-dione 1-[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) -0.82 2.44 -36.27 2 5 1 62 227.284 3 ↓
Hi High (pH 8-9.5) -0.82 0.21 -10.84 1 5 0 61 226.276 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) 0.05 6.43 -43.27 1 6 1 68 269.321 5 ↓
Hi High (pH 8-9.5) 0.05 4.19 -12.48 0 6 0 67 268.313 5 ↓

Analogs

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Popular Name: 1-[2-(4-hydroxy-1-piperidyl)ethyl]pyrrolidine-2,5-dione 1-[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) -1.56 2.45 -37.92 2 5 1 62 227.284 3 ↓
Hi High (pH 8-9.5) -1.56 0.23 -10.83 1 5 0 61 226.276 3 ↓

Analogs

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Popular Name: 1-[2-[4-(2-aminoethyl)-1-piperidyl]ethyl]pyrrolidine-2,5-dione 1-[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) -0.55 4.42 -94.75 4 5 2 69 255.362 5 ↓
Hi High (pH 8-9.5) -0.55 2.19 -50.01 3 5 1 68 254.354 5 ↓

Analogs

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Popular Name: 1-[2-[4-[2-(methylamino)ethyl]-1-piperidyl]ethyl]pyrrolidine-2,5-dione 1-[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) 0.43 6.3 -91.1 3 5 2 58 269.389 6 ↓
Hi High (pH 8-9.5) 0.43 4.07 -45.49 2 5 1 57 268.381 6 ↓

Analogs

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Popular Name: 1-[2-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]ethyl]pyrrolidine-2,5-dione 1-[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) 0.37 4.52 -41.27 2 5 1 57 268.381 6 ↓
Mid Mid (pH 6-8) 0.37 6.12 -99.93 3 5 2 58 269.389 6 ↓

Analogs

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Popular Name: 1-[2-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]ethyl]pyrrolidine-2,5-dione 1-[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) 0.37 3.98 -44.31 2 5 1 57 268.381 6 ↓
Mid Mid (pH 6-8) 0.37 6.11 -100.02 3 5 2 58 269.389 6 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 110377 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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