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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: (2S)-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(4-methylpiperazin-1-y…

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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) -2.92 5.95 -68.18 1 7 0 85 269.301 3 ↓
Mid Mid (pH 6-8) -2.92 3.6 -46.59 0 7 -1 84 268.293 3 ↓

Analogs

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Popular Name: (2R)-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(4-methylpiperazin-1-y…

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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) -2.92 5.49 -64.5 1 7 0 85 269.301 3 ↓
Mid Mid (pH 6-8) -2.92 3.15 -46.94 0 7 -1 84 268.293 3 ↓

Analogs

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Popular Name: (4R)-4-methyl-1-(2-oxo-2-piperazin-1-yl-ethyl)pyrrolidin-2-one (4R)-4-methyl-1-(2-oxo-2-piperaz…

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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) -0.81 3.28 -53.34 2 5 1 57 226.3 2 ↓
Mid Mid (pH 6-8) -0.81 1.99 -14.21 1 5 0 53 225.292 2 ↓

Analogs

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Popular Name: (4S)-4-methyl-1-(2-oxo-2-piperazin-1-yl-ethyl)pyrrolidin-2-one (4S)-4-methyl-1-(2-oxo-2-piperaz…

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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) -0.81 3.28 -53.69 2 5 1 57 226.3 2 ↓
Mid Mid (pH 6-8) -0.81 1.99 -14.53 1 5 0 53 225.292 2 ↓

Analogs

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Popular Name: 1-[2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-oxo-ethyl]pyrrolidin-2-one 1-[2-[(2S,6R)-2,6-dimethylpipera…

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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) -0.63 3.4 -54.78 2 5 1 57 240.327 2 ↓
Mid Mid (pH 6-8) -0.63 2.08 -14.17 1 5 0 53 239.319 2 ↓

Analogs

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Popular Name: 1-[2-[(2S,6S)-2,6-dimethylpiperazin-1-yl]-2-oxo-ethyl]pyrrolidin-2-one 1-[2-[(2S,6S)-2,6-dimethylpipera…

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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) -0.63 3.98 -56.18 2 5 1 57 240.327 2 ↓
Mid Mid (pH 6-8) -0.63 2.66 -13.39 1 5 0 53 239.319 2 ↓

Analogs

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Popular Name: 1-[2-[(2R,6R)-2,6-dimethylpiperazin-1-yl]-2-oxo-ethyl]pyrrolidin-2-one 1-[2-[(2R,6R)-2,6-dimethylpipera…

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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) -0.63 4.02 -51.88 2 5 1 57 240.327 2 ↓
Mid Mid (pH 6-8) -0.63 2.66 -13.93 1 5 0 53 239.319 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-2-methyl-propyl]pyrrolidin-2-one 1-[(1S)-1-[4-[(2R)-2-hydroxyprop…

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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) 0.15 4.15 -18.91 1 6 0 64 311.426 5 ↓
Lo Low (pH 4.5-6) 0.15 6.38 -57.38 2 6 1 65 312.434 5 ↓

Analogs

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Popular Name: 1-[(1R)-1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-2-methyl-propyl]pyrrolidin-2-one 1-[(1R)-1-[4-[(2R)-2-hydroxyprop…

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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) 0.15 3.87 -18.76 1 6 0 64 311.426 5 ↓
Lo Low (pH 4.5-6) 0.15 6.14 -55.97 2 6 1 65 312.434 5 ↓

Analogs

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Popular Name: 1-[(1S)-1-[4-[(2S)-2-hydroxypropyl]piperazine-1-carbonyl]-2-methyl-propyl]pyrrolidin-2-one 1-[(1S)-1-[4-[(2S)-2-hydroxyprop…

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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) 0.15 4 -18.82 1 6 0 64 311.426 5 ↓
Lo Low (pH 4.5-6) 0.15 6.27 -56.39 2 6 1 65 312.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-[4-[(2S)-2-hydroxypropyl]piperazine-1-carbonyl]-2-methyl-propyl]pyrrolidin-2-one 1-[(1R)-1-[4-[(2S)-2-hydroxyprop…

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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) 0.15 3.99 -19.48 1 6 0 64 311.426 5 ↓
Lo Low (pH 4.5-6) 0.15 6.17 -54.39 2 6 1 65 312.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-[4-(2-hydroxy-2-methyl-propyl)piperazine-1-carbonyl]-2-methyl-propyl]pyrrolidin-2-one 1-[(1S)-1-[4-(2-hydroxy-2-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) 0.60 5.58 -17.94 1 6 0 64 325.453 5 ↓
Lo Low (pH 4.5-6) 0.60 7.03 -50.52 2 6 1 65 326.461 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-[4-(2-hydroxy-2-methyl-propyl)piperazine-1-carbonyl]-2-methyl-propyl]pyrrolidin-2-one 1-[(1R)-1-[4-(2-hydroxy-2-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) 0.60 5.54 -18.12 1 6 0 64 325.453 5 ↓
Lo Low (pH 4.5-6) 0.60 6.96 -47.94 2 6 1 65 326.461 5 ↓

Analogs

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Popular Name: 1-[2-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-2-oxo-ethyl]pyrrolidin-2-one 1-[2-[4-[(2S)-2-hydroxy-3,3-dime…

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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 2.85 -15.28 1 6 0 64 311.426 5 ↓
Mid Mid (pH 6-8) 0.37 5.05 -52.17 2 6 1 65 312.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-2-oxo-ethyl]pyrrolidin-2-one 1-[2-[4-[(2R)-2-hydroxy-3,3-dime…

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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 2.79 -16.09 1 6 0 64 311.426 5 ↓
Mid Mid (pH 6-8) 0.37 5.02 -53.49 2 6 1 65 312.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]-2-oxo-ethyl]pyrrolidin-2-one 1-[2-[4-(2-hydroxy-2-methyl-prop…

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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) -0.51 2.43 -15.42 1 6 0 64 283.372 4 ↓
Mid Mid (pH 6-8) -0.51 4.19 -47.3 2 6 1 65 284.38 4 ↓

Parameters Provided:

ring.id = 216826
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 = 216826 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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