UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-iodo-4-(1-piperidyl)pyridine 3-iodo-4-(1-piperidyl)pyridine

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) 2.89 -1.78 -33.46 1 2 1 17 289.14 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-propyl-1-piperidyl)pyridine-2-carboxylic 4-(4-propyl-1-piperidyl)pyridine…

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) 3.17 8.1 -33.35 1 4 0 58 248.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-pyridyl)piperidine-2-carboxylic (2S)-1-(4-pyridyl)piperidine-2-c…

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) -0.56 4.09 -50.33 1 4 0 58 206.245 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-pyridyl)piperidine-2-carboxylic (2R)-1-(4-pyridyl)piperidine-2-c…

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) -0.56 4.09 -50.37 1 4 0 58 206.245 2 ↓

Analogs

43453614
43453614

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-amino-4-pyridyl)-N-methyl-piperidine-4-carboxamide 1-(3-amino-4-pyridyl)-N-methyl-p…

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) 0.26 2.47 -36.12 4 5 1 72 235.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl({[1-(pyridin-4-yl)piperidin-4-yl]methyl})amine methyl({[1-(pyridin-4-yl)piperid…

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) 1.31 5.47 -80.5 3 3 2 34 207.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(4-pyridyl)-4-piperidyl]methyl]ethanamine N-[[1-(4-pyridyl)-4-piperidyl]me…

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) 1.33 6.34 -80.08 3 3 2 34 221.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(4-pyridyl)-4-piperidyl]methyl]propan-1-amine N-[[1-(4-pyridyl)-4-piperidyl]me…

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) 1.84 7.09 -81.59 3 3 2 34 235.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(4-pyridyl)-4-piperidyl]methyl]propan-2-amine N-[[1-(4-pyridyl)-4-piperidyl]me…

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) 1.98 6.84 -79.49 3 3 2 34 235.375 4 ↓

Analogs

19801041
19801041

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-nitro-4-pyridyl)piperidin-4-amine 1-(3-nitro-4-pyridyl)piperidin-4…

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) 0.12 3.57 -47.69 3 6 1 90 223.256 2 ↓

Analogs

43430431
43430431
43430432
43430432
43433205
43433205
43433207
43433207

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 1.12 6.09 -85.67 3 5 2 60 265.357 5 ↓
Mid Mid (pH 6-8) 1.12 4.95 -32.73 2 5 1 56 264.349 5 ↓

Analogs

1703858
1703858

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-ethyl-1-piperidyl]pyridine-2-carboxylic 4-[(2R)-2-ethyl-1-piperidyl]pyri…

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) 2.55 7.34 -33.49 1 4 0 58 234.299 3 ↓

Analogs

1703858
1703858

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-ethyl-1-piperidyl]pyridine-2-carboxylic 4-[(2S)-2-ethyl-1-piperidyl]pyri…

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) 2.55 7.37 -34.44 1 4 0 58 234.299 3 ↓

Analogs

43430431
43430431
43430432
43430432
43433205
43433205
43433207
43433207

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 1.60 6.35 -85.92 3 5 2 60 279.384 5 ↓
Mid Mid (pH 6-8) 1.60 5.38 -33.79 2 5 1 56 278.376 5 ↓

Analogs

44516207
44516207
36960303
36960303
34978930
34978930

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-pyridyl)-N-(1,1,3,3-tetramethylbutyl)piperidin-4-amine 1-(4-pyridyl)-N-(1,1,3,3-tetrame…

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) 3.71 9.27 -79.38 3 3 2 34 291.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-3-methyl-1-piperidyl]pyridine-2-carbonitrile 4-[(3R)-3-methyl-1-piperidyl]pyr…

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) 2.11 6.02 -6.12 0 3 0 40 201.273 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-3-methyl-1-piperidyl]pyridine-2-carbonitrile 4-[(3S)-3-methyl-1-piperidyl]pyr…

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) 2.11 6.02 -6.28 0 3 0 40 201.273 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S,5R)-3,5-dimethyl-1-piperidyl]pyridine-2-carbonitrile 4-[(3S,5R)-3,5-dimethyl-1-piperi…

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) 2.59 6.61 -6.01 0 3 0 40 215.3 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidyl]pyridine-2-carbonitrile 4-[(3S,5S)-3,5-dimethyl-1-piperi…

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) 2.59 6.78 -6.11 0 3 0 40 215.3 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidyl]pyridine-2-carbonitrile 4-[(3R,5R)-3,5-dimethyl-1-piperi…

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) 2.59 6.78 -6.03 0 3 0 40 215.3 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 1.97 6.97 -10.91 0 5 0 66 259.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-cyano-4-pyridyl)piperidine-4-carboxamide 1-(2-cyano-4-pyridyl)piperidine-…

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) 0.47 2.08 -13.68 2 5 0 83 230.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methyl-1-piperidyl)pyridine-2-carbonitrile 4-(4-methyl-1-piperidyl)pyridine…

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) 2.11 6.02 -6.29 0 3 0 40 201.273 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-3-(hydroxymethyl)-1-piperidyl]pyridine-2-carbonitrile 4-[(3S)-3-(hydroxymethyl)-1-pipe…

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) 1.10 2.7 -8.7 1 4 0 60 217.272 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-3-(hydroxymethyl)-1-piperidyl]pyridine-2-carbonitrile 4-[(3R)-3-(hydroxymethyl)-1-pipe…

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) 1.10 2.73 -8.83 1 4 0 60 217.272 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-hydroxy-1-piperidyl)pyridine-2-carbonitrile 4-(4-hydroxy-1-piperidyl)pyridin…

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) -0.01 2.1 -9.06 1 4 0 60 203.245 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-methyl-N'-[1-(4-pyridyl)-4-piperidyl]ethane-1,2-diamine N-(2-methoxyethyl)-N-methyl-N'-[…

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) 0.94 4.08 -85.79 3 5 2 46 294.443 8 ↓
Hi High (pH 8-9.5) 0.94 2.88 -31.45 2 5 1 42 293.435 8 ↓
Lo Low (pH 4.5-6) 0.94 6.51 -172.02 4 5 3 48 295.451 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-cyano-4-pyridyl)-4-methyl-piperidine-4-carboxylic 1-(2-cyano-4-pyridyl)-4-methyl-p…

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) 1.23 6.24 -48.54 0 5 -1 80 244.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-carbamoyl-4-pyridyl)-4-methyl-piperidine-4-carboxylic 1-(2-carbamoyl-4-pyridyl)-4-meth…

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) 0.29 3.23 -68.76 3 6 0 101 263.297 3 ↓
Mid Mid (pH 6-8) 0.29 2.75 -51.18 2 6 -1 99 262.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[2-(methylcarbamoyl)-4-pyridyl]piperidine-4-carboxylic 4-methyl-1-[2-(methylcarbamoyl)-…

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) 0.66 4.72 -68.22 2 6 0 87 277.324 3 ↓
Hi High (pH 8-9.5) 0.66 4.23 -51.63 1 6 -1 85 276.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(dimethylcarbamoyl)-4-pyridyl]-4-methyl-piperidine-4-carboxylic 1-[2-(dimethylcarbamoyl)-4-pyrid…

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) 0.91 6.84 -51.84 0 6 -1 77 290.343 3 ↓
Mid Mid (pH 6-8) 0.91 6.83 -67.22 1 6 0 78 291.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(ethylcarbamoyl)-4-pyridyl]-4-methyl-piperidine-4-carboxylic 1-[2-(ethylcarbamoyl)-4-pyridyl]…

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) 1.04 5.56 -67.5 2 6 0 87 291.351 4 ↓
Hi High (pH 8-9.5) 1.04 5.09 -51.52 1 6 -1 85 290.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(4-pyridyl)piperidine-4-carboxylic 4-methyl-1-(4-pyridyl)piperidine…

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) 1.01 6.4 -63.67 1 4 0 58 220.272 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(3-nitro-4-pyridyl)piperidine-4-carboxylic 4-methyl-1-(3-nitro-4-pyridyl)pi…

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) 1.12 7.12 -57.36 0 7 -1 102 264.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-cyano-4-pyridyl)-4-ethyl-piperidine-4-carboxylic 1-(2-cyano-4-pyridyl)-4-ethyl-pi…

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) 1.56 6.71 -47.64 0 5 -1 80 258.301 3 ↓
Lo Low (pH 4.5-6) 1.56 4.86 -10.99 1 5 0 77 259.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-carbamoyl-4-pyridyl)-4-ethyl-piperidine-4-carboxylic 1-(2-carbamoyl-4-pyridyl)-4-ethy…

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) 0.62 3.72 -68.89 3 6 0 101 277.324 4 ↓
Mid Mid (pH 6-8) 0.62 3.24 -50.42 2 6 -1 99 276.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[2-(methylcarbamoyl)-4-pyridyl]piperidine-4-carboxylic 4-ethyl-1-[2-(methylcarbamoyl)-4…

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) 1.00 5.21 -68.3 2 6 0 87 291.351 4 ↓
Hi High (pH 8-9.5) 1.00 4.73 -50.87 1 6 -1 85 290.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(4-pyridyl)piperidine-4-carboxylic 4-ethyl-1-(4-pyridyl)piperidine-…

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) 1.35 6.87 -62.8 1 4 0 58 234.299 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(3-nitro-4-pyridyl)piperidine-4-carboxylic 4-ethyl-1-(3-nitro-4-pyridyl)pip…

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) 1.45 8.09 -45.72 0 7 -1 102 278.288 4 ↓
Lo Low (pH 4.5-6) 1.45 6.23 -8.79 1 7 0 99 279.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-cyano-4-pyridyl)-4-propyl-piperidine-4-carboxylic 1-(2-cyano-4-pyridyl)-4-propyl-p…

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) 2.12 7.48 -48.05 0 5 -1 80 272.328 4 ↓
Lo Low (pH 4.5-6) 2.12 5.61 -10.89 1 5 0 77 273.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-carbamoyl-4-pyridyl)-4-propyl-piperidine-4-carboxylic 1-(2-carbamoyl-4-pyridyl)-4-prop…

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) 1.18 4.49 -69.28 3 6 0 101 291.351 5 ↓
Mid Mid (pH 6-8) 1.18 4.01 -50.8 2 6 -1 99 290.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-1-(4-pyridyl)piperidine-4-carboxylic 4-propyl-1-(4-pyridyl)piperidine…

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) 1.91 7.6 -62.69 1 4 0 58 248.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-nitro-4-pyridyl)-4-propyl-piperidine-4-carboxylic 1-(3-nitro-4-pyridyl)-4-propyl-p…

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) 2.01 8.86 -46.06 0 7 -1 102 292.315 5 ↓
Lo Low (pH 4.5-6) 2.01 6.99 -8.74 1 7 0 99 293.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-cyano-4-pyridyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(2-cyano-4-pyridyl)-3-met…

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) 1.23 6.61 -49.09 0 5 -1 80 244.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-cyano-4-pyridyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(2-cyano-4-pyridyl)-3-met…

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) 1.23 6.58 -43.74 0 5 -1 80 244.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-carbamoyl-4-pyridyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(2-carbamoyl-4-pyridyl)-3…

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) 0.29 3.62 -70.92 3 6 0 101 263.297 3 ↓
Mid Mid (pH 6-8) 0.29 3.14 -55.42 2 6 -1 99 262.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-carbamoyl-4-pyridyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(2-carbamoyl-4-pyridyl)-3…

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) 0.29 3.59 -59.16 3 6 0 101 263.297 3 ↓
Mid Mid (pH 6-8) 0.29 3.11 -45.64 2 6 -1 99 262.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[2-(methylcarbamoyl)-4-pyridyl]piperidine-3-carboxylic (3S)-3-methyl-1-[2-(methylcarbam…

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) 0.66 5.1 -70.6 2 6 0 87 277.324 3 ↓
Hi High (pH 8-9.5) 0.66 4.62 -56.17 1 6 -1 85 276.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-(methylcarbamoyl)-4-pyridyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-(methylcarbam…

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) 0.66 5.08 -58.32 2 6 0 87 277.324 3 ↓
Hi High (pH 8-9.5) 0.66 4.59 -45.98 1 6 -1 85 276.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(dimethylcarbamoyl)-4-pyridyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[2-(dimethylcarbamoyl)-4-…

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) 0.91 7.22 -57.47 0 6 -1 77 290.343 3 ↓
Mid Mid (pH 6-8) 0.91 7.2 -69.74 1 6 0 78 291.351 3 ↓

Parameters Provided:

ring.id = 2185
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 = 2185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2185&filter.purchasability=annotated

Embed Link to Results