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

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-allyl-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperidine-2-carboxamide (2S)-N-allyl-1-[(E)-3-(4-chlorop…

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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) 3.34 9.22 -15.69 1 4 0 49 332.831 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-propyl-piperidine-2-carboxamide (2S)-1-[(E)-3-(4-chlorophenyl)pr…

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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) 3.57 9.44 -16.01 1 4 0 49 334.847 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-propyl-piperidine-2-carboxamide (2R)-1-[(E)-3-(4-chlorophenyl)pr…

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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) 3.57 9.45 -15.6 1 4 0 49 334.847 5 ↓

Analogs

36974356
36974356
36974358
36974358

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Popular Name: 1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid 1-[(2E)-3-(4-chlorophenyl)prop-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) 1.38 9.05 -67.66 0 4 -1 60 292.742 3 ↓

Analogs

36974356
36974356
36974358
36974358

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid 1-[(2E)-3-(4-chlorophenyl)prop-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) 1.38 8.94 -66.74 0 4 -1 60 292.742 3 ↓

Analogs

12022009
12022009
36966381
36966381
36966382
36966382

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Popular Name: (2S)-1-[(E)-3-phenylprop-2-enoyl]piperidine-2-carboxylic (2S)-1-[(E)-3-phenylprop-2-enoyl…

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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 0.65 -68.43 0 4 -1 60 258.297 3 ↓

Analogs

36966381
36966381
36966382
36966382
12022006
12022006

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(E)-3-phenylprop-2-enoyl]piperidine-2-carboxylic (2R)-1-[(E)-3-phenylprop-2-enoyl…

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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 0.67 -68.6 0 4 -1 60 258.297 3 ↓

Analogs

12022018
12022018
37861367
37861367
37861545
37861545
37861546
37861546
37861629
37861629

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Popular Name: (E)-1-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]-3-phenyl-prop-2-en-1-one (E)-1-[(2S)-2-(2-hydroxyethyl)-1…

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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) 2.55 -1.64 -11.16 1 3 0 41 259.349 4 ↓

Analogs

37861367
37861367
37861545
37861545
37861546
37861546
37861629
37861629
37861630
37861630

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Popular Name: (E)-1-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]-3-phenyl-prop-2-en-1-one (E)-1-[(2R)-2-(2-hydroxyethyl)-1…

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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) 2.55 -1.66 -11.08 1 3 0 41 259.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1,2-dimethylpropyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide N-[(1R)-1,2-dimethylpropyl]-1-[(…

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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) 3.35 9.24 -16.21 1 4 0 49 328.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1,2-dimethylpropyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide N-[(1S)-1,2-dimethylpropyl]-1-[(…

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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) 3.35 8.97 -13.18 1 4 0 49 328.456 5 ↓

Analogs

60657306
60657306

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide N-isobutyl-1-[(E)-3-phenylprop-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) 3.02 8.47 -18.59 1 4 0 49 314.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-oxo-2-propylamino-ethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide N-(2-oxo-2-propylamino-ethyl)-1-…

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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) 2.38 6.16 -18.09 2 6 0 79 357.454 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethoxypropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide N-(3-ethoxypropyl)-1-[(E)-3-phen…

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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) 2.52 7.73 -16.7 1 5 0 59 344.455 8 ↓

Analogs

59329749
59329749

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-methyl-piperidine-4-carboxamide 1-[(E)-3-(4-chlorophenyl)prop-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) 2.57 6.63 -16.83 1 4 0 49 306.793 3 ↓

Analogs

463950
463950

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Popular Name: (E)-1-(4-amino-1-piperidyl)-3-(2-nitrophenyl)prop-2-en-1-one (E)-1-(4-amino-1-piperidyl)-3-(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) 1.01 5.78 -65.59 3 6 1 94 276.316 3 ↓

Analogs

44870822
44870822
63912
63912

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-(4-amino-1-piperidyl)-3-(4-chlorophenyl)prop-2-en-1-one (E)-1-(4-amino-1-piperidyl)-3-(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) 1.96 5.69 -54.5 3 3 1 48 265.764 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(E)-3-(4-ethylphenyl)prop-2-enoyl]piperidine-3-carboxylic (3R)-1-[(E)-3-(4-ethylphenyl)pro…

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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) 2.95 8.98 -45.7 0 4 -1 60 286.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(E)-3-(4-ethylphenyl)prop-2-enoyl]piperidine-3-carboxylic (3S)-1-[(E)-3-(4-ethylphenyl)pro…

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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) 2.95 9.01 -56.16 0 4 -1 60 286.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]piperidine-3-carboxylic (3R)-1-[(E)-3-(2-methoxy-5-methy…

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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 7.61 -47.93 0 5 -1 70 302.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]piperidine-3-carboxylic (3S)-1-[(E)-3-(2-methoxy-5-methy…

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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 7.59 -59.82 0 5 -1 70 302.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(E)-3-[2-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoyl]piperidine-3-carboxylic (3R)-1-[(E)-3-[2-(difluoromethox…

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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) 2.23 7.16 -62.97 0 6 -1 79 354.329 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(E)-3-[2-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoyl]piperidine-3-carboxylic (3S)-1-[(E)-3-[2-(difluoromethox…

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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) 2.23 7.18 -63.06 0 6 -1 79 354.329 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic (2R)-1-[(E)-3-(3-chlorophenyl)pr…

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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) 1.35 9.88 -63.13 0 4 -1 60 292.742 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic (2S)-1-[(E)-3-(3-chlorophenyl)pr…

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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) 1.35 10.11 -64.52 0 4 -1 60 292.742 3 ↓

Analogs

12022006
12022006
12022009
12022009

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(E)-3-(p-tolyl)prop-2-enoyl]piperidine-2-carboxylic (2R)-1-[(E)-3-(p-tolyl)prop-2-en…

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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) 1.15 10.04 -65.9 0 4 -1 60 272.324 3 ↓

Analogs

12022006
12022006
12022009
12022009

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(E)-3-(p-tolyl)prop-2-enoyl]piperidine-2-carboxylic (2S)-1-[(E)-3-(p-tolyl)prop-2-en…

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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) 1.15 10.27 -67.17 0 4 -1 60 272.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]piperidine-2-carboxylic (2R)-1-[(E)-3-(5-bromo-2-fluoro-…

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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) 1.42 10.02 -66.23 0 4 -1 60 355.183 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]piperidine-2-carboxylic (2S)-1-[(E)-3-(5-bromo-2-fluoro-…

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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) 1.42 10.26 -67.62 0 4 -1 60 355.183 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(E)-3-(4-cyanophenyl)prop-2-enoyl]piperidine-2-carboxylic (2R)-1-[(E)-3-(4-cyanophenyl)pro…

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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 9.76 -65.41 0 5 -1 84 283.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(E)-3-(4-cyanophenyl)prop-2-enoyl]piperidine-2-carboxylic (2S)-1-[(E)-3-(4-cyanophenyl)pro…

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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 9.99 -66.91 0 5 -1 84 283.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(E)-3-(m-tolyl)prop-2-enoyl]piperidine-2-carboxylic (2R)-1-[(E)-3-(m-tolyl)prop-2-en…

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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) 1.12 10.02 -66.09 0 4 -1 60 272.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(E)-3-(m-tolyl)prop-2-enoyl]piperidine-2-carboxylic (2S)-1-[(E)-3-(m-tolyl)prop-2-en…

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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) 1.12 10.26 -67.35 0 4 -1 60 272.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]piperidine-4-carboxylic 1-[(E)-3-(2-chloro-6-fluoro-phen…

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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) 2.60 8.93 -50.14 0 4 -1 60 310.732 3 ↓

Analogs

13171245
13171245
13171246
13171246

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]piperidine-3-carboxylic (3S)-1-[(E)-3-(3-cyanophenyl)pro…

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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) 1.76 8.85 -44.54 0 5 -1 84 283.307 3 ↓

Analogs

13171245
13171245
13171246
13171246

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]piperidine-3-carboxylic (3R)-1-[(E)-3-(3-cyanophenyl)pro…

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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) 1.76 8.82 -57.95 0 5 -1 84 283.307 3 ↓

Analogs

40160932
40160932
40160933
40160933
457282
457282

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Popular Name: (3S)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxylic (3S)-1-[(E)-3-(2,5-dichloropheny…

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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) 3.14 9.41 -44 0 4 -1 60 327.187 3 ↓

Analogs

40160932
40160932
40160933
40160933
457282
457282

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxylic (3R)-1-[(E)-3-(2,5-dichloropheny…

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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) 3.14 9.38 -53.71 0 4 -1 60 327.187 3 ↓

Analogs

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Popular Name: N-[1-[(E)-3-[4-(difluoromethoxy)-3-ethoxy-phenyl]prop-2-enoyl]-4-piperidyl]-N-methyl-methanesulfonam N-[1-[(E)-3-[4-(difluoromethoxy)…

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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) 2.39 6.05 -18.95 0 7 0 76 432.489 8 ↓

Analogs

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Popular Name: 1-[(E)-3-(4-ethylphenyl)prop-2-enoyl]piperidine-4-carboxylic 1-[(E)-3-(4-ethylphenyl)prop-2-e…

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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) 2.95 9 -50.5 0 4 -1 60 286.351 4 ↓

Analogs

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Popular Name: 1-[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic 1-[(E)-3-(2-methoxy-5-methyl-phe…

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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 7.58 -53.25 0 5 -1 70 302.35 4 ↓

Analogs

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Popular Name: 1-[(E)-3-[2-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoyl]piperidine-4-carboxylic 1-[(E)-3-[2-(difluoromethoxy)-3-…

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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) 2.23 7.19 -56.7 0 6 -1 79 354.329 6 ↓

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) 3.75 9.48 -14.64 0 4 0 47 342.222 4 ↓

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) 3.10 9.24 -11.54 0 4 0 47 287.359 4 ↓

Analogs

34947082
34947082
36884680
36884680

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Popular Name: (E)-3-(2-methoxyphenyl)-1-[(3R)-3-methyl-1-piperidyl]prop-2-en-1-one (E)-3-(2-methoxyphenyl)-1-[(3R)-…

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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) 2.99 7.91 -11.44 0 3 0 30 259.349 3 ↓

Analogs

34947082
34947082
36884680
36884680

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Popular Name: (E)-3-(2-methoxyphenyl)-1-[(3S)-3-methyl-1-piperidyl]prop-2-en-1-one (E)-3-(2-methoxyphenyl)-1-[(3S)-…

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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) 2.99 7.9 -11.36 0 3 0 30 259.349 3 ↓

Analogs

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Popular Name: N-[2-(isopropylamino)-2-oxo-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide N-[2-(isopropylamino)-2-oxo-ethy…

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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) 2.17 6.25 -15 2 6 0 79 357.454 6 ↓

Analogs

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Popular Name: N-[(3R)-1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-piperidyl]propanamide N-[(3R)-1-[(E)-3-(3-chlorophenyl…

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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) 3.04 7.61 -20.28 1 4 0 49 320.82 4 ↓

Analogs

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Popular Name: N-[(3S)-1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-piperidyl]propanamide N-[(3S)-1-[(E)-3-(3-chlorophenyl…

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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) 3.04 7.6 -19.91 1 4 0 49 320.82 4 ↓

Analogs

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Popular Name: N-[(3R)-1-[(E)-3-(m-tolyl)prop-2-enoyl]-3-piperidyl]butanamide N-[(3R)-1-[(E)-3-(m-tolyl)prop-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) 3.37 8.52 -19.28 1 4 0 49 314.429 5 ↓

Parameters Provided:

ring.id = 15823
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 = 15823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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