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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclopropyl-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrrolidine-2,5-dione (3R)-1-cyclopropyl-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) -0.73 3.03 -40.02 2 6 1 63 270.353 8 ↓
Hi High (pH 8-9.5) -0.73 0.61 -7.94 1 6 0 62 269.345 8 ↓
Mid Mid (pH 6-8) -0.73 1.86 -51.21 2 6 1 66 270.353 8 ↓

Analogs

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Popular Name: (3R)-1-cyclopropyl-3-[[(1R)-1,4-dimethylpentyl]amino]pyrrolidine-2,5-dione (3R)-1-cyclopropyl-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) 1.51 6.48 -47.28 2 4 1 54 253.366 6 ↓
Mid Mid (pH 6-8) 1.51 5.56 -8.15 1 4 0 49 252.358 6 ↓
Mid Mid (pH 6-8) 1.51 5.62 -6.03 1 4 0 49 252.358 6 ↓

Analogs

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Popular Name: (3R)-1-cyclopropyl-3-[[(1S)-1,4-dimethylpentyl]amino]pyrrolidine-2,5-dione (3R)-1-cyclopropyl-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) 1.51 6.55 -47.47 2 4 1 54 253.366 6 ↓
Mid Mid (pH 6-8) 1.51 5.46 -7.68 1 4 0 49 252.358 6 ↓
Mid Mid (pH 6-8) 1.51 5.43 -5.91 1 4 0 49 252.358 6 ↓

Analogs

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Popular Name: (3S)-1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrrolidine-2,5-dione (3S)-1-cyclopropyl-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) 0.45 3.03 -8.69 1 4 0 49 250.22 5 ↓
Mid Mid (pH 6-8) 0.45 4.3 -58.51 2 4 1 54 251.228 5 ↓

Analogs

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Popular Name: (3R)-1-cyclopropyl-3-(1,1-dimethylprop-2-ynylamino)pyrrolidine-2,5-dione (3R)-1-cyclopropyl-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) 0.22 3.37 -6.95 1 4 0 49 220.272 3 ↓
Lo Low (pH 4.5-6) 0.22 4.26 -41.23 2 4 1 54 221.28 3 ↓
Lo Low (pH 4.5-6) 0.22 4.27 -41.08 2 4 1 54 221.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(but-3-ynylamino)-1-cyclopropyl-pyrrolidine-2,5-dione (3R)-3-(but-3-ynylamino)-1-cyclo…

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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 3.16 -8.19 1 4 0 49 206.245 4 ↓
Mid Mid (pH 6-8) -0.32 4.41 -55.03 2 4 1 54 207.253 4 ↓
Mid Mid (pH 6-8) -0.32 4.41 -55.02 2 4 1 54 207.253 4 ↓

Analogs

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Popular Name: (3R)-1-cyclopropyl-3-[methyl-[2-(methylamino)ethyl]amino]pyrrolidine-2,5-dione (3R)-1-cyclopropyl-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) -0.72 1.74 -43.94 2 5 1 57 226.3 5 ↓
Hi High (pH 8-9.5) -0.72 2.81 -44.84 2 5 1 54 226.3 5 ↓
Hi High (pH 8-9.5) -0.72 0.26 -6.85 1 5 0 53 225.292 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) -0.55 2.69 -10.51 1 6 0 76 240.259 5 ↓
Mid Mid (pH 6-8) -0.55 3.76 -50.81 2 6 1 80 241.267 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) -0.55 2.84 -11.84 1 6 0 76 240.259 5 ↓
Mid Mid (pH 6-8) -0.55 3.84 -47.97 2 6 1 80 241.267 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) -0.18 3.76 -11.61 1 6 0 76 254.286 6 ↓
Mid Mid (pH 6-8) -0.18 4.77 -47.72 2 6 1 80 255.294 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) -0.18 3.61 -10.32 1 6 0 76 254.286 6 ↓
Mid Mid (pH 6-8) -0.18 4.69 -50.5 2 6 1 80 255.294 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[tert-butyl-[(3R)-1-cyclopropyl-2,5-dioxo-pyrrolidin-3-yl]amino]propanoic 3-[tert-butyl-[(3R)-1-cyclopropy…

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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) 0.20 6.58 -56.05 1 6 0 82 282.34 6 ↓
Hi High (pH 8-9.5) 0.20 4.68 -50.48 0 6 -1 81 281.332 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1-cyclopropyl-2,5-dioxo-pyrrolidin-3-yl]-[(1R)-1-methylpropyl]amino]acetic 2-[[(3R)-1-cyclopropyl-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) -0.96 6.59 -41.75 1 6 0 82 268.313 6 ↓
Hi High (pH 8-9.5) -0.96 4.56 -44.36 0 6 -1 81 267.305 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1-cyclopropyl-2,5-dioxo-pyrrolidin-3-yl]-[(1S)-1-methylpropyl]amino]acetic 2-[[(3R)-1-cyclopropyl-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) -0.96 6.52 -37.47 1 6 0 82 268.313 6 ↓
Hi High (pH 8-9.5) -0.96 4.27 -47.51 0 6 -1 81 267.305 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclopropyl-3-[[(1S)-3-(dimethylamino)-1-methyl-propyl]amino]pyrrolidine-2,5-dione (3R)-1-cyclopropyl-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) -0.12 4.66 -38.33 2 5 1 54 254.354 6 ↓
Mid Mid (pH 6-8) -0.12 5.69 -117.27 3 5 2 58 255.362 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclopropyl-3-[[(1R)-3-(dimethylamino)-1-methyl-propyl]amino]pyrrolidine-2,5-dione (3R)-1-cyclopropyl-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) -0.12 4.85 -41.91 2 5 1 54 254.354 6 ↓
Mid Mid (pH 6-8) -0.12 5.77 -114.25 3 5 2 58 255.362 6 ↓

Analogs

50048558
50048558
50048560
50048560
36851604
36851604
36851603
36851603
36855160
36855160

Draw Identity 99% 90% 80% 70%

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) 0.76 4.67 -9.68 1 6 0 76 282.34 7 ↓
Mid Mid (pH 6-8) 0.76 5.75 -45.18 2 6 1 80 283.348 7 ↓

Analogs

50048558
50048558
50048560
50048560
36851604
36851604
36851603
36851603
36855160
36855160

Draw Identity 99% 90% 80% 70%

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) 0.76 4.55 -13.17 1 6 0 76 282.34 7 ↓
Mid Mid (pH 6-8) 0.76 6.97 -52 2 6 1 80 283.348 7 ↓

Parameters Provided:

ring.id = 212823
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 = 212823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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