UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.56 8.45 -39.55 2 6 1 63 354.515 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 2.56 8.45 -39.6 2 6 1 63 354.515 6 ↓

Analogs

44833159
44833159
44833161
44833161

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Popular Name: ethyl ethyl

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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) 0.50 3.7 -58.27 3 6 1 75 284.38 4 ↓

Analogs

44833159
44833159
44833161
44833161

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Popular Name: ethyl ethyl

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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) 0.50 3.71 -58.05 3 6 1 75 284.38 4 ↓

Analogs

37804595
37804595
37804596
37804596
37813334
37813334
37813335
37813335
37813393
37813393

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Popular Name: (3R)-N-(1-ethyl-4-piperidyl)-N-methyl-piperidine-3-carboxamide (3R)-N-(1-ethyl-4-piperidyl)-N-m…

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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) 0.67 6.14 -98.13 3 4 2 41 255.406 3 ↓

Analogs

37804595
37804595
37804596
37804596
37813334
37813334
37813335
37813335
37813393
37813393

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(1-ethyl-4-piperidyl)-N-methyl-piperidine-3-carboxamide (3S)-N-(1-ethyl-4-piperidyl)-N-m…

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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) 0.67 6.1 -84.86 3 4 2 41 255.406 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-methyl-N-(1-methyl-4-piperidyl)piperidine-3-carboxamide (3S)-3-ethyl-N-methyl-N-(1-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) 0.87 6.23 -95.48 3 4 2 41 269.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-methyl-N-(1-methyl-4-piperidyl)piperidine-3-carboxamide (3R)-3-ethyl-N-methyl-N-(1-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) 0.87 6.35 -90.64 3 4 2 41 269.433 3 ↓

Analogs

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Popular Name: (3S)-N,3-dimethyl-N-(1-methyl-4-piperidyl)piperidine-3-carboxamide (3S)-N,3-dimethyl-N-(1-methyl-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) 0.54 5.68 -86.35 3 4 2 41 255.406 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,3-dimethyl-N-(1-methyl-4-piperidyl)piperidine-3-carboxamide (3R)-N,3-dimethyl-N-(1-methyl-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) 0.54 5.74 -86.5 3 4 2 41 255.406 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-N-(1-methyl-4-piperidyl)-3-propyl-piperidine-3-carboxamide (3S)-N-methyl-N-(1-methyl-4-pipe…

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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) 1.43 6.98 -95.86 3 4 2 41 283.46 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-(1-methyl-4-piperidyl)-3-propyl-piperidine-3-carboxamide (3R)-N-methyl-N-(1-methyl-4-pipe…

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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) 1.43 7.11 -91.1 3 4 2 41 283.46 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 1.07 4.42 -38.9 3 6 1 75 298.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 1.07 4.42 -39.64 3 6 1 75 298.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(1-methyl-4-piperidyl)piperidine-3-carboxamide (3S)-3-ethyl-N-(1-methyl-4-piper…

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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) 0.95 5.07 -80.14 4 4 2 50 255.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(1-methyl-4-piperidyl)piperidine-3-carboxamide (3R)-3-ethyl-N-(1-methyl-4-piper…

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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) 0.95 5.11 -81.86 4 4 2 50 255.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-(1-methyl-4-piperidyl)piperidine-3-carboxamide (3S)-3-methyl-N-(1-methyl-4-pipe…

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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) 0.62 4.66 -79.49 4 4 2 50 241.379 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-(1-methyl-4-piperidyl)piperidine-3-carboxamide (3R)-3-methyl-N-(1-methyl-4-pipe…

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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) 0.62 4.66 -80.34 4 4 2 50 241.379 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(1-methyl-4-piperidyl)-3-propyl-piperidine-3-carboxamide (3S)-N-(1-methyl-4-piperidyl)-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) 1.51 5.82 -81.78 4 4 2 50 269.433 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(1-methyl-4-piperidyl)-3-propyl-piperidine-3-carboxamide (3R)-N-(1-methyl-4-piperidyl)-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) 1.51 5.87 -82.49 4 4 2 50 269.433 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(1-ethyl-4-piperidyl)-N-methyl-piperidine-3-carboxamide (3S)-3-ethyl-N-(1-ethyl-4-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) 1.25 6.87 -94.62 3 4 2 41 283.46 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(1-ethyl-4-piperidyl)-N-methyl-piperidine-3-carboxamide (3R)-3-ethyl-N-(1-ethyl-4-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) 1.25 7 -89.8 3 4 2 41 283.46 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(1-ethyl-4-piperidyl)-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-(1-ethyl-4-piperidyl)-N,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) 0.91 6.37 -85.89 3 4 2 41 269.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(1-ethyl-4-piperidyl)-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-(1-ethyl-4-piperidyl)-N,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) 0.91 6.39 -86.29 3 4 2 41 269.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(1-ethyl-4-piperidyl)-N-methyl-3-propyl-piperidine-3-carboxamide (3S)-N-(1-ethyl-4-piperidyl)-N-m…

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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) 1.80 7.64 -95.48 3 4 2 41 297.487 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(1-ethyl-4-piperidyl)-N-methyl-3-propyl-piperidine-3-carboxamide (3R)-N-(1-ethyl-4-piperidyl)-N-m…

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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) 1.80 7.77 -90.28 3 4 2 41 297.487 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(1-methylsulfonyl-4-piperidyl)piperidine-3-carboxamide (3S)-3-ethyl-N-(1-methylsulfonyl…

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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) 0.33 1.63 -44.91 3 6 1 83 318.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(1-methylsulfonyl-4-piperidyl)piperidine-3-carboxamide (3R)-3-ethyl-N-(1-methylsulfonyl…

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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) 0.33 1.71 -41.63 3 6 1 83 318.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-(1-methylsulfonyl-4-piperidyl)piperidine-3-carboxamide (3S)-3-methyl-N-(1-methylsulfony…

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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) 0.00 1.27 -41.75 3 6 1 83 304.436 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-(1-methylsulfonyl-4-piperidyl)piperidine-3-carboxamide (3R)-3-methyl-N-(1-methylsulfony…

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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) 0.00 1.27 -40.91 3 6 1 83 304.436 3 ↓

Analogs

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Popular Name: (3R)-N-(1-butyl-4-piperidyl)-3-ethyl-piperidine-3-carboxamide (3R)-N-(1-butyl-4-piperidyl)-3-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) 2.39 7.11 -94.74 4 4 2 50 297.487 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(1-butyl-4-piperidyl)-3-ethyl-piperidine-3-carboxamide (3S)-N-(1-butyl-4-piperidyl)-3-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) 2.39 7.15 -98.85 4 4 2 50 297.487 6 ↓

Analogs

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Popular Name: (3R)-N-(1-butyl-4-piperidyl)-3-methyl-piperidine-3-carboxamide (3R)-N-(1-butyl-4-piperidyl)-3-m…

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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) 2.06 6.84 -81.88 4 4 2 50 283.46 5 ↓

Analogs

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Popular Name: (3S)-N-(1-butyl-4-piperidyl)-3-methyl-piperidine-3-carboxamide (3S)-N-(1-butyl-4-piperidyl)-3-m…

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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) 2.06 6.84 -80.86 4 4 2 50 283.46 5 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-[1-[2-(methylamino)-2-oxo-ethyl]-4-piperidyl]piperidine-3-carboxamide (3S)-3-methyl-N-[1-[2-(methylami…

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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) 0.23 3.02 -84.3 5 6 2 79 298.431 4 ↓
Mid Mid (pH 6-8) 0.23 0.85 -38.53 4 6 1 78 297.423 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[1-[2-(methylamino)-2-oxo-ethyl]-4-piperidyl]piperidine-3-carboxamide (3R)-3-methyl-N-[1-[2-(methylami…

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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) 0.23 3.02 -85.71 5 6 2 79 298.431 4 ↓
Mid Mid (pH 6-8) 0.23 0.85 -38.86 4 6 1 78 297.423 4 ↓

Analogs

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Popular Name: (3R)-N-(1-isopropyl-4-piperidyl)-3-methyl-piperidine-3-carboxamide (3R)-N-(1-isopropyl-4-piperidyl)…

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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) 1.29 5.84 -78.79 4 4 2 50 269.433 3 ↓

Analogs

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Popular Name: (3S)-N-(1-isopropyl-4-piperidyl)-3-methyl-piperidine-3-carboxamide (3S)-N-(1-isopropyl-4-piperidyl)…

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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) 1.29 5.84 -78.07 4 4 2 50 269.433 3 ↓

Analogs

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Popular Name: (3S)-N-(1-acetyl-4-piperidyl)-3-ethyl-piperidine-3-carboxamide (3S)-N-(1-acetyl-4-piperidyl)-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) 0.32 3.97 -41.07 3 5 1 66 282.408 3 ↓

Analogs

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Popular Name: (3R)-N-(1-acetyl-4-piperidyl)-3-ethyl-piperidine-3-carboxamide (3R)-N-(1-acetyl-4-piperidyl)-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) 0.32 4.05 -42.14 3 5 1 66 282.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(1-acetyl-4-piperidyl)-3-methyl-piperidine-3-carboxamide (3R)-N-(1-acetyl-4-piperidyl)-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) -0.02 3.6 -40.99 3 5 1 66 268.381 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(1-acetyl-4-piperidyl)-3-methyl-piperidine-3-carboxamide (3S)-N-(1-acetyl-4-piperidyl)-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) -0.02 3.6 -40.25 3 5 1 66 268.381 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(1-acetyl-4-piperidyl)-3-propyl-piperidine-3-carboxamide (3S)-N-(1-acetyl-4-piperidyl)-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) 0.88 4.73 -41.33 3 5 1 66 296.435 4 ↓

Analogs

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Popular Name: (3R)-N-(1-acetyl-4-piperidyl)-3-propyl-piperidine-3-carboxamide (3R)-N-(1-acetyl-4-piperidyl)-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) 0.88 4.81 -42.59 3 5 1 66 296.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-3-ethyl-piperidine-3-carboxamide (3S)-N-[1-(2-amino-2-oxo-ethyl)-…

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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) -0.31 1.95 -86.18 6 6 2 93 298.431 5 ↓
Mid Mid (pH 6-8) -0.31 -0.25 -39.58 5 6 1 92 297.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-3-ethyl-piperidine-3-carboxamide (3R)-N-[1-(2-amino-2-oxo-ethyl)-…

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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) -0.31 2 -87.17 6 6 2 93 298.431 5 ↓
Mid Mid (pH 6-8) -0.31 -0.2 -39.88 5 6 1 92 297.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-3-methyl-piperidine-3-carboxamide (3S)-N-[1-(2-amino-2-oxo-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) -0.65 1.55 -84.14 6 6 2 93 284.404 4 ↓
Mid Mid (pH 6-8) -0.65 -0.65 -38.5 5 6 1 92 283.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-3-methyl-piperidine-3-carboxamide (3R)-N-[1-(2-amino-2-oxo-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) -0.65 1.55 -85.53 6 6 2 93 284.404 4 ↓
Mid Mid (pH 6-8) -0.65 -0.65 -38.78 5 6 1 92 283.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[1-(2-methoxyacetyl)-4-piperidyl]-3-methyl-piperidine-3-carboxamide (3S)-N-[1-(2-methoxyacetyl)-4-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) -0.08 3.82 -44.89 3 6 1 75 298.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[1-(2-methoxyacetyl)-4-piperidyl]-3-methyl-piperidine-3-carboxamide (3R)-N-[1-(2-methoxyacetyl)-4-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) -0.08 3.82 -44.91 3 6 1 75 298.407 4 ↓

Parameters Provided:

ring.id = 36603
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 = 36603 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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