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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-morpholinoethyl)-5-oxo-pyrrolidine-2-carboxylic (2S)-1-(2-morpholinoethyl)-5-oxo…

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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) -2.28 2.71 -45.47 0 6 -1 73 241.267 4 ↓
Mid Mid (pH 6-8) -2.28 4.98 -52.73 1 6 0 74 242.275 4 ↓

Analogs

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Popular Name: (2R)-1-(2-morpholinoethyl)-5-oxo-pyrrolidine-2-carboxylic (2R)-1-(2-morpholinoethyl)-5-oxo…

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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) -2.28 2.31 -44.9 0 6 -1 73 241.267 4 ↓
Mid Mid (pH 6-8) -2.28 4.6 -43.84 1 6 0 74 242.275 4 ↓

Analogs

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Popular Name: 1-[2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]ethyl]pyrrolidin-2-one 1-[2-[(2R)-2-(dimethylaminomethy…

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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 3.89 -38.1 1 5 1 37 256.37 5 ↓
Hi High (pH 8-9.5) -0.04 1.43 -10 0 5 0 36 255.362 5 ↓

Analogs

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Popular Name: 1-[2-[(2S)-2-(dimethylaminomethyl)morpholin-4-yl]ethyl]pyrrolidin-2-one 1-[2-[(2S)-2-(dimethylaminomethy…

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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 3.92 -39.91 1 5 1 37 256.37 5 ↓
Hi High (pH 8-9.5) -0.04 1.39 -10.14 0 5 0 36 255.362 5 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-cyano-3-methyl-butyl]-1-(2-morpholinoethyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[(1S)-1-cyano-3-methyl-bu…

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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 3.45 -17.07 1 7 0 86 336.436 7 ↓
Mid Mid (pH 6-8) 0.57 5.71 -49.83 2 7 1 87 337.444 7 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-cyano-3-methyl-butyl]-1-(2-morpholinoethyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[(1R)-1-cyano-3-methyl-bu…

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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 3.41 -16.18 1 7 0 86 336.436 7 ↓
Mid Mid (pH 6-8) 0.57 5.67 -47.92 2 7 1 87 337.444 7 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-1-cyano-3-methyl-butyl]-1-(2-morpholinoethyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[(1S)-1-cyano-3-methyl-bu…

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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 3.45 -16.33 1 7 0 86 336.436 7 ↓
Mid Mid (pH 6-8) 0.57 5.71 -46.35 2 7 1 87 337.444 7 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-1-cyano-3-methyl-butyl]-1-(2-morpholinoethyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[(1R)-1-cyano-3-methyl-bu…

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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 3.41 -17.57 1 7 0 86 336.436 7 ↓
Mid Mid (pH 6-8) 0.57 5.67 -46.62 2 7 1 87 337.444 7 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-(2-morpholinoethyl)pyrrolidin-2-one (4R)-4-hydroxy-1-(2-morpholinoet…

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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 -1.67 -10 1 5 0 53 214.265 3 ↓
Mid Mid (pH 6-8) -0.97 0.6 -41.82 2 5 1 54 215.273 3 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-(2-morpholinoethyl)pyrrolidin-2-one (4S)-4-hydroxy-1-(2-morpholinoet…

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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 -1.66 -10.07 1 5 0 53 214.265 3 ↓
Mid Mid (pH 6-8) -0.97 0.61 -40.6 2 5 1 54 215.273 3 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1S)-1-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) -0.64 -0.81 -8.57 1 5 0 53 228.292 3 ↓
Mid Mid (pH 6-8) -0.64 1.77 -39.1 2 5 1 54 229.3 3 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1R)-1-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) -0.64 -0.74 -8.84 1 5 0 53 228.292 3 ↓
Mid Mid (pH 6-8) -0.64 1.76 -35.93 2 5 1 54 229.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(1S)-1-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) -0.64 -0.75 -10.24 1 5 0 53 228.292 3 ↓
Mid Mid (pH 6-8) -0.64 1.8 -35.3 2 5 1 54 229.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(1R)-1-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) -0.64 -0.79 -10.21 1 5 0 53 228.292 3 ↓
Mid Mid (pH 6-8) -0.64 1.8 -39.67 2 5 1 54 229.3 3 ↓

Analogs

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Popular Name: (4R)-4-amino-1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrolidin-2-one (4R)-4-amino-1-[(1S)-1-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) -1.13 -0.15 -58.78 3 5 1 60 228.316 3 ↓
Hi High (pH 8-9.5) -1.13 -0.44 -7.65 2 5 0 59 227.308 3 ↓
Mid Mid (pH 6-8) -1.13 2.43 -111.68 4 5 2 62 229.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrolidin-2-one (4R)-4-amino-1-[(1R)-1-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) -1.13 -0.08 -58.34 3 5 1 60 228.316 3 ↓
Hi High (pH 8-9.5) -1.13 -0.37 -7.54 2 5 0 59 227.308 3 ↓
Mid Mid (pH 6-8) -1.13 2.42 -111.84 4 5 2 62 229.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrolidin-2-one (4S)-4-amino-1-[(1S)-1-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) -1.13 -0.06 -57.29 3 5 1 60 228.316 3 ↓
Hi High (pH 8-9.5) -1.13 -0.37 -8.89 2 5 0 59 227.308 3 ↓
Mid Mid (pH 6-8) -1.13 1.91 -106.81 4 5 2 62 229.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrolidin-2-one (4S)-4-amino-1-[(1R)-1-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) -1.13 -0.12 -56.03 3 5 1 60 228.316 3 ↓
Hi High (pH 8-9.5) -1.13 -0.42 -9.12 2 5 0 59 227.308 3 ↓
Mid Mid (pH 6-8) -1.13 2.47 -106.2 4 5 2 62 229.324 3 ↓

Parameters Provided:

ring.id = 216830
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 = 216830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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