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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: (3R)-1-cyclopentyl-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrrolidine-2,5-dione (3R)-1-cyclopentyl-3-[2-[2-metho…

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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) 0.30 4.24 -39.08 2 6 1 63 298.407 8 ↓
Hi High (pH 8-9.5) 0.30 1.81 -7.54 1 6 0 62 297.399 8 ↓
Mid Mid (pH 6-8) 0.30 3.06 -50.46 2 6 1 66 298.407 8 ↓

Analogs

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Popular Name: (3R)-1-cyclopentyl-3-[[(1R)-1,4-dimethylpentyl]amino]pyrrolidine-2,5-dione (3R)-1-cyclopentyl-3-[[(1R)-1,4-…

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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) 2.54 7.64 -46.21 2 4 1 54 281.42 6 ↓
Mid Mid (pH 6-8) 2.54 6.77 -7.54 1 4 0 49 280.412 6 ↓
Mid Mid (pH 6-8) 2.54 6.81 -5.6 1 4 0 49 280.412 6 ↓

Analogs

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Popular Name: (3R)-1-cyclopentyl-3-[[(1S)-1,4-dimethylpentyl]amino]pyrrolidine-2,5-dione (3R)-1-cyclopentyl-3-[[(1S)-1,4-…

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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) 2.54 7.75 -46.96 2 4 1 54 281.42 6 ↓
Mid Mid (pH 6-8) 2.54 6.65 -7.19 1 4 0 49 280.412 6 ↓
Mid Mid (pH 6-8) 2.54 6.64 -5.47 1 4 0 49 280.412 6 ↓

Analogs

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Popular Name: (3S)-1-cyclopentyl-3-(3,3,3-trifluoropropylamino)pyrrolidine-2,5-dione (3S)-1-cyclopentyl-3-(3,3,3-trif…

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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) 1.49 4.22 -8.19 1 4 0 49 278.274 5 ↓
Mid Mid (pH 6-8) 1.49 5.48 -57.71 2 4 1 54 279.282 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclopentyl-3-(1,1-dimethylprop-2-ynylamino)pyrrolidine-2,5-dione (3R)-1-cyclopentyl-3-(1,1-dimeth…

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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) 1.26 4.61 -9.79 1 4 0 49 248.326 3 ↓
Lo Low (pH 4.5-6) 1.26 5.47 -40.27 2 4 1 54 249.334 3 ↓
Lo Low (pH 4.5-6) 1.26 5.47 -40.27 2 4 1 54 249.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclopentyl-3-[methyl-[2-(methylamino)ethyl]amino]pyrrolidine-2,5-dione (3R)-1-cyclopentyl-3-[methyl-[2-…

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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 2.92 -42.87 2 5 1 57 254.354 5 ↓
Hi High (pH 8-9.5) 0.32 4.01 -43.78 2 5 1 54 254.354 5 ↓
Hi High (pH 8-9.5) 0.32 1.47 -6.31 1 5 0 53 253.346 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) 0.48 3.89 -9.95 1 6 0 76 268.313 5 ↓
Mid Mid (pH 6-8) 0.48 4.98 -49.7 2 6 1 80 269.321 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) 0.48 4.04 -11.28 1 6 0 76 268.313 5 ↓
Mid Mid (pH 6-8) 0.48 5.05 -46.89 2 6 1 80 269.321 5 ↓

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) 0.86 4.94 -11.07 1 6 0 76 282.34 6 ↓
Mid Mid (pH 6-8) 0.86 5.98 -46.66 2 6 1 80 283.348 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) 0.86 4.81 -9.77 1 6 0 76 282.34 6 ↓
Mid Mid (pH 6-8) 0.86 5.9 -49.4 2 6 1 80 283.348 6 ↓

Analogs

5294168
5294168

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Popular Name: 1-(2,5-dioxopyrrolidin-1-yl)cyclopentanecarboxylic 1-(2,5-dioxopyrrolidin-1-yl)cycl…

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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) -1.88 5.54 -57.19 0 5 -1 78 210.209 2 ↓

Analogs

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Popular Name: 2-[[(3R)-1-cyclopentyl-2,5-dioxo-pyrrolidin-3-yl]-[(1R)-1-methylpropyl]amino]acetic 2-[[(3R)-1-cyclopentyl-2,5-dioxo…

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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) 0.08 7.79 -40.84 1 6 0 82 296.367 6 ↓
Hi High (pH 8-9.5) 0.08 5.77 -44.48 0 6 -1 81 295.359 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1-cyclopentyl-2,5-dioxo-pyrrolidin-3-yl]-[(1S)-1-methylpropyl]amino]acetic 2-[[(3R)-1-cyclopentyl-2,5-dioxo…

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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) 0.08 8.15 -33.59 1 6 0 82 296.367 6 ↓
Hi High (pH 8-9.5) 0.08 6.49 -44.26 0 6 -1 81 295.359 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclopentyl-3-[[(1S)-3-(dimethylamino)-1-methyl-propyl]amino]pyrrolidine-2,5-dione (3R)-1-cyclopentyl-3-[[(1S)-3-(d…

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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) 0.92 5.88 -37.62 2 5 1 54 282.408 6 ↓
Mid Mid (pH 6-8) 0.92 6.88 -116.9 3 5 2 58 283.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclopentyl-3-[[(1R)-3-(dimethylamino)-1-methyl-propyl]amino]pyrrolidine-2,5-dione (3R)-1-cyclopentyl-3-[[(1R)-3-(d…

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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) 0.92 6.03 -41.12 2 5 1 54 282.408 6 ↓
Mid Mid (pH 6-8) 0.92 6.98 -113.91 3 5 2 58 283.416 6 ↓

Parameters Provided:

ring.id = 206697
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 = 206697 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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