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

38436748
38436748
38436749
38436749

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-(3-aminophenyl)piperazin-1-yl]tetrahydrofuran-2-one (3R)-3-[4-(3-aminophenyl)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) -0.18 3.39 -10.11 2 5 0 59 261.325 2 ↓

Analogs

38436748
38436748
38436749
38436749

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-(3-aminophenyl)piperazin-1-yl]tetrahydrofuran-2-one (3S)-3-[4-(3-aminophenyl)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) -0.18 3.37 -10.22 2 5 0 59 261.325 2 ↓

Analogs

38436748
38436748
38436749
38436749

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-(2-aminophenyl)piperazin-1-yl]tetrahydrofuran-2-one (3R)-3-[4-(2-aminophenyl)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) 0.20 4.32 -8.7 2 5 0 59 261.325 2 ↓

Analogs

38436748
38436748
38436749
38436749

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-(2-aminophenyl)piperazin-1-yl]tetrahydrofuran-2-one (3S)-3-[4-(2-aminophenyl)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) 0.20 4.3 -8.76 2 5 0 59 261.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-(3-nitrophenyl)piperazin-1-yl]tetrahydrofuran-2-one (3R)-3-[4-(3-nitrophenyl)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) 0.70 6.21 -15.3 0 7 0 79 291.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-(3-nitrophenyl)piperazin-1-yl]tetrahydrofuran-2-one (3S)-3-[4-(3-nitrophenyl)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) 0.70 6.2 -12.35 0 7 0 79 291.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-(2-nitrophenyl)piperazin-1-yl]tetrahydrofuran-2-one (3R)-3-[4-(2-nitrophenyl)piperaz…

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Activity (Go SEA)

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) 0.68 7.17 -15.17 0 7 0 79 291.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[4-(4-chlorophenyl)pip…

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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) 1.55 6.62 -10.36 0 4 0 33 294.782 2 ↓
Mid Mid (pH 6-8) 1.55 8.96 -46.32 1 4 1 34 295.79 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[4-(4-chlorophenyl)pip…

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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) 1.55 6.52 -10.56 0 4 0 33 294.782 2 ↓
Mid Mid (pH 6-8) 1.55 8.87 -46.41 1 4 1 34 295.79 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[4-(4-chlorophenyl)pip…

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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) 1.55 6.57 -10.23 0 4 0 33 294.782 2 ↓
Mid Mid (pH 6-8) 1.55 8.89 -47.27 1 4 1 34 295.79 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[4-(4-chlorophenyl)pip…

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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) 1.55 6.78 -9.22 0 4 0 33 294.782 2 ↓
Mid Mid (pH 6-8) 1.55 8.96 -46.43 1 4 1 34 295.79 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]tetrahydrofuran-2-one (3R)-3-[4-(4-chlorophenyl)pipera…

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Activity (Go SEA)

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) 1.44 6.03 -9.42 0 4 0 33 280.755 2 ↓
Mid Mid (pH 6-8) 1.44 8.19 -46.21 1 4 1 34 281.763 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-(4-chlorophenyl)piperazin-1-yl]tetrahydrofuran-2-one (3S)-3-[4-(4-chlorophenyl)pipera…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.44 6.01 -9.38 0 4 0 33 280.755 2 ↓
Mid Mid (pH 6-8) 1.44 8.19 -46.15 1 4 1 34 281.763 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-[4-[(3S,5R)-5-methyl-2-oxo-tetrahydrofuran-3-yl]piperazin-1-yl]benzonitrile 2-fluoro-6-[4-[(3S,5R)-5-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) 0.70 7.19 -18.98 0 5 0 57 303.337 2 ↓
Mid Mid (pH 6-8) 0.70 9.53 -42.2 1 5 1 58 304.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-[4-[(3S,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl]piperazin-1-yl]benzonitrile 2-fluoro-6-[4-[(3S,5S)-5-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) 0.70 7.08 -19.19 0 5 0 57 303.337 2 ↓
Mid Mid (pH 6-8) 0.70 9.44 -42.67 1 5 1 58 304.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-[4-[(3R,5R)-5-methyl-2-oxo-tetrahydrofuran-3-yl]piperazin-1-yl]benzonitrile 2-fluoro-6-[4-[(3R,5R)-5-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) 0.70 7.15 -11.51 0 5 0 57 303.337 2 ↓
Mid Mid (pH 6-8) 0.70 9.46 -50.86 1 5 1 58 304.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-[4-[(3R,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl]piperazin-1-yl]benzonitrile 2-fluoro-6-[4-[(3R,5S)-5-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) 0.70 7.25 -11.76 0 5 0 57 303.337 2 ↓
Mid Mid (pH 6-8) 0.70 9.53 -50.82 1 5 1 58 304.345 2 ↓

Parameters Provided:

ring.id = 15819
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 = 15819 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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