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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)-3-(4-methyl-3-nitro-anilino)piperidin-2-one (3R)-3-(4-methyl-3-nitro-anilino…

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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) 2.29 4.1 -11.71 2 6 0 87 249.27 3 ↓

Analogs

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Popular Name: (3S)-3-(4-methyl-3-nitro-anilino)piperidin-2-one (3S)-3-(4-methyl-3-nitro-anilino…

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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) 2.29 4.09 -11.79 2 6 0 87 249.27 3 ↓

Analogs

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Popular Name: (3R)-3-(3-amino-4-methyl-anilino)piperidin-2-one (3R)-3-(3-amino-4-methyl-anilino…

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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) 1.82 1.4 -10.43 4 4 0 67 219.288 2 ↓

Analogs

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Popular Name: (3S)-3-(3-amino-4-methyl-anilino)piperidin-2-one (3S)-3-(3-amino-4-methyl-anilino…

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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) 1.82 1.4 -10.44 4 4 0 67 219.288 2 ↓

Analogs

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Popular Name: (3R)-3-(2-amino-4-nitro-anilino)piperidin-2-one (3R)-3-(2-amino-4-nitro-anilino)…

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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) 1.33 1.61 -13.66 4 7 0 113 250.258 3 ↓

Analogs

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Popular Name: (3S)-3-(2-amino-4-nitro-anilino)piperidin-2-one (3S)-3-(2-amino-4-nitro-anilino)…

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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) 1.33 1.61 -13.66 4 7 0 113 250.258 3 ↓

Analogs

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Popular Name: 5-chloro-2-[[(3R)-2-oxo-3-piperidyl]amino]benzonitrile 5-chloro-2-[[(3R)-2-oxo-3-piperi…

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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) 2.32 3.66 -9.16 2 4 0 65 249.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(3S)-2-oxo-3-piperidyl]amino]benzonitrile 5-chloro-2-[[(3S)-2-oxo-3-piperi…

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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) 2.32 3.66 -9.18 2 4 0 65 249.701 2 ↓

Analogs

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Popular Name: 5-chloro-2-[[(3R)-2-oxo-3-piperidyl]amino]benzenecarbothioamide 5-chloro-2-[[(3R)-2-oxo-3-piperi…

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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) 2.36 2.52 -18.08 4 4 0 67 283.784 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(3S)-2-oxo-3-piperidyl]amino]benzenecarbothioamide 5-chloro-2-[[(3S)-2-oxo-3-piperi…

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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) 2.36 2.52 -13.02 4 4 0 67 283.784 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[[(3R)-2-oxo-3-piperidyl]amino]benzonitrile 2-chloro-6-[[(3R)-2-oxo-3-piperi…

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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) 2.29 3.56 -10.73 2 4 0 65 249.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[[(3S)-2-oxo-3-piperidyl]amino]benzonitrile 2-chloro-6-[[(3S)-2-oxo-3-piperi…

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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) 2.29 3.56 -10.78 2 4 0 65 249.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[[(3R)-2-oxo-3-piperidyl]amino]benzenecarbothioamide 2-chloro-6-[[(3R)-2-oxo-3-piperi…

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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) 2.34 2.42 -18.35 4 4 0 67 283.784 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[[(3S)-2-oxo-3-piperidyl]amino]benzenecarbothioamide 2-chloro-6-[[(3S)-2-oxo-3-piperi…

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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) 2.34 2.42 -13.59 4 4 0 67 283.784 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3R)-2-oxo-3-piperidyl]amino]benzonitrile 4-chloro-2-[[(3R)-2-oxo-3-piperi…

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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) 2.32 3.66 -9.38 2 4 0 65 249.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3S)-2-oxo-3-piperidyl]amino]benzonitrile 4-chloro-2-[[(3S)-2-oxo-3-piperi…

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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) 2.32 3.65 -9.39 2 4 0 65 249.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3R)-2-oxo-3-piperidyl]amino]benzenecarbothioamide 4-chloro-2-[[(3R)-2-oxo-3-piperi…

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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) 2.36 2.52 -13.01 4 4 0 67 283.784 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3S)-2-oxo-3-piperidyl]amino]benzenecarbothioamide 4-chloro-2-[[(3S)-2-oxo-3-piperi…

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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) 2.36 2.52 -18.06 4 4 0 67 283.784 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(3R)-2-oxo-3-piperidyl]amino]benzonitrile 3-chloro-4-[[(3R)-2-oxo-3-piperi…

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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) 2.32 3.73 -10.03 2 4 0 65 249.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(3S)-2-oxo-3-piperidyl]amino]benzonitrile 3-chloro-4-[[(3S)-2-oxo-3-piperi…

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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) 2.32 3.73 -10.02 2 4 0 65 249.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(3R)-2-oxo-3-piperidyl]amino]benzenecarbothioamide 3-chloro-4-[[(3R)-2-oxo-3-piperi…

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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) 2.36 2.55 -15.7 4 4 0 67 283.784 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(3S)-2-oxo-3-piperidyl]amino]benzenecarbothioamide 3-chloro-4-[[(3S)-2-oxo-3-piperi…

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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) 2.36 2.55 -17.09 4 4 0 67 283.784 3 ↓

Analogs

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Popular Name: 3,5-difluoro-4-[[(3R)-2-oxo-3-piperidyl]amino]benzoic 3,5-difluoro-4-[[(3R)-2-oxo-3-pi…

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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) 2.05 3.41 -52.27 2 5 -1 81 269.227 3 ↓

Analogs

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Popular Name: 3,5-difluoro-4-[[(3S)-2-oxo-3-piperidyl]amino]benzoic 3,5-difluoro-4-[[(3S)-2-oxo-3-pi…

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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) 2.05 3.51 -50.8 2 5 -1 81 269.227 3 ↓

Analogs

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Popular Name: 4-amino-2-[[(3R)-2-oxo-3-piperidyl]amino]benzoic 4-amino-2-[[(3R)-2-oxo-3-piperid…

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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) 1.05 1.42 -59.04 4 6 -1 107 248.262 3 ↓
Lo Low (pH 4.5-6) 1.05 -0.56 -12.8 5 6 0 104 249.27 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[[(3S)-2-oxo-3-piperidyl]amino]benzoic 4-amino-2-[[(3S)-2-oxo-3-piperid…

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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) 1.05 1.42 -57.48 4 6 -1 107 248.262 3 ↓
Lo Low (pH 4.5-6) 1.05 -0.58 -12.31 5 6 0 104 249.27 3 ↓

Parameters Provided:

ring.id = 5963
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 = 5963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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