UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37792334
37792334
37796186
37796186
37796285
37796285
35720568
35720568

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1-ethyl-4-piperidyl)-methyl-amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[(1-ethyl-4-piperidyl)-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) 1.46 9.97 -75.95 1 5 0 65 296.411 5 ↓
Lo Low (pH 4.5-6) 1.46 7.52 -45.28 2 5 1 62 297.419 5 ↓

Analogs

39305135
39305135
37865225
37865225
37870700
37870700
37870703
37870703

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-N-(1-isopropyl-4-piperidyl)acetamide 2-cyclopentyl-N-(1-isopropyl-4-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) 2.56 7.64 -36.62 2 3 1 34 253.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-cyanobutylsulfonyl)-4-piperidyl]-2-cyclopentyl-acetamide N-[1-(4-cyanobutylsulfonyl)-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) 1.50 6.01 -21.1 1 6 0 90 355.504 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-N-[1-[2-[isopropyl(methyl)amino]acetyl]-4-piperidyl]acetamide 2-cyclopentyl-N-[1-[2-[isopropyl…

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) 1.92 8.09 -43.19 2 5 1 54 324.489 6 ↓
Hi High (pH 8-9.5) 1.92 5.71 -13.2 1 5 0 53 323.481 6 ↓

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) 2.36 9.6 -45.49 2 5 1 60 325.473 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-N-[1-(2-methylsulfonylethyl)-4-piperidyl]acetamide 2-cyclopentyl-N-[1-(2-methylsulf…

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) 1.29 4.64 -55.77 2 5 1 68 317.475 6 ↓
Hi High (pH 8-9.5) 1.29 2.41 -18.27 1 5 0 66 316.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide 2-[4-[(2-cyclopentylacetyl)amino…

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) 2.17 8.08 -45.61 2 5 1 54 364.432 7 ↓
Mid Mid (pH 6-8) 2.17 5.9 -12.69 1 5 0 53 363.424 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-(3-methoxypropyl)propanamide (2S)-2-[4-[(2-cyclopentylacetyl)…

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) 1.58 5.87 -40.86 3 6 1 72 354.515 9 ↓
Mid Mid (pH 6-8) 1.58 3.66 -13.68 2 6 0 71 353.507 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-(3-methoxypropyl)propanamide (2R)-2-[4-[(2-cyclopentylacetyl)…

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) 1.58 5.89 -40.81 3 6 1 72 354.515 9 ↓
Mid Mid (pH 6-8) 1.58 3.66 -13.66 2 6 0 71 353.507 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-(1,1-dimethylpropyl)propanamide (2R)-2-[4-[(2-cyclopentylacetyl)…

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) 3.02 7.87 -38.55 3 5 1 63 352.543 7 ↓
Mid Mid (pH 6-8) 3.02 5.65 -12.1 2 5 0 61 351.535 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-(1,1-dimethylpropyl)propanamide (2S)-2-[4-[(2-cyclopentylacetyl)…

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) 3.02 7.86 -38.68 3 5 1 63 352.543 7 ↓
Mid Mid (pH 6-8) 3.02 5.65 -12.07 2 5 0 61 351.535 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-ethyl-N-(2-methylallyl)propanamide (2R)-2-[4-[(2-cyclopentylacetyl)…

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) 3.14 10.14 -38.34 2 5 1 54 364.554 8 ↓
Mid Mid (pH 6-8) 3.14 8.01 -10.8 1 5 0 53 363.546 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-ethyl-N-(2-methylallyl)propanamide (2S)-2-[4-[(2-cyclopentylacetyl)…

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) 3.14 10.19 -37.99 2 5 1 54 364.554 8 ↓
Mid Mid (pH 6-8) 3.14 8.04 -10.83 1 5 0 53 363.546 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-isobutyl-propanamide (2R)-2-[4-[(2-cyclopentylacetyl)…

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) 2.45 7.56 -39.3 3 5 1 63 338.516 7 ↓
Mid Mid (pH 6-8) 2.45 5.35 -12.85 2 5 0 61 337.508 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-isobutyl-propanamide (2S)-2-[4-[(2-cyclopentylacetyl)…

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) 2.45 7.55 -39.43 3 5 1 63 338.516 7 ↓
Mid Mid (pH 6-8) 2.45 5.35 -12.87 2 5 0 61 337.508 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N,N-dipropyl-acetamide 2-[4-[(2-cyclopentylacetyl)amino…

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) 3.00 10.18 -41.4 2 5 1 54 352.543 9 ↓
Mid Mid (pH 6-8) 3.00 7.98 -10.47 1 5 0 53 351.535 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(tert-butylcarbamoyl)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]propanamide (2S)-N-(tert-butylcarbamoyl)-2-[…

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) 2.16 5.01 -22.48 3 7 0 91 380.533 6 ↓
Mid Mid (pH 6-8) 2.16 7.27 -49.14 4 7 1 92 381.541 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]propanamide (2R)-N-(tert-butylcarbamoyl)-2-[…

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) 2.16 5.01 -22.5 3 7 0 91 380.533 6 ↓
Mid Mid (pH 6-8) 2.16 7.28 -49.07 4 7 1 92 381.541 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-carbamoyl-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]propanamide (2S)-N-carbamoyl-2-[4-[(2-cyclop…

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) 0.60 3.97 -51.18 5 7 1 106 325.433 5 ↓
Mid Mid (pH 6-8) 0.60 1.72 -23.83 4 7 0 105 324.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-carbamoyl-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]propanamide (2R)-N-carbamoyl-2-[4-[(2-cyclop…

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) 0.60 3.99 -51.12 5 7 1 106 325.433 5 ↓
Mid Mid (pH 6-8) 0.60 1.72 -23.83 4 7 0 105 324.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N,N-diethyl-acetamide 2-[4-[(2-cyclopentylacetyl)amino…

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) 2.00 8.66 -41.07 2 5 1 54 324.489 7 ↓
Mid Mid (pH 6-8) 2.00 6.47 -10.9 1 5 0 53 323.481 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-cyanoethyl)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-methyl-propanamide (2S)-N-(2-cyanoethyl)-2-[4-[(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) 1.03 8.62 -48.6 2 6 1 78 349.499 7 ↓
Mid Mid (pH 6-8) 1.03 6.26 -18.19 1 6 0 76 348.491 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-cyanoethyl)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-methyl-propanamide (2R)-N-(2-cyanoethyl)-2-[4-[(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) 1.03 8.56 -47.37 2 6 1 78 349.499 7 ↓
Mid Mid (pH 6-8) 1.03 6.41 -15.65 1 6 0 76 348.491 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-(methylcarbamoyl)propanamide (2S)-2-[4-[(2-cyclopentylacetyl)…

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) 0.98 3.13 -23.97 3 7 0 91 338.452 5 ↓
Mid Mid (pH 6-8) 0.98 5.38 -51.05 4 7 1 92 339.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-(methylcarbamoyl)propanamide (2R)-2-[4-[(2-cyclopentylacetyl)…

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) 0.98 3.13 -23.99 3 7 0 91 338.452 5 ↓
Mid Mid (pH 6-8) 0.98 5.4 -50.92 4 7 1 92 339.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-(1-ethylpropyl)propanamide (2R)-2-[4-[(2-cyclopentylacetyl)…

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) 3.07 8.33 -38.96 3 5 1 63 352.543 8 ↓
Mid Mid (pH 6-8) 3.07 6.23 -12.15 2 5 0 61 351.535 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-(1-ethylpropyl)propanamide (2S)-2-[4-[(2-cyclopentylacetyl)…

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) 3.07 8.43 -38.9 3 5 1 63 352.543 8 ↓
Mid Mid (pH 6-8) 3.07 6.23 -12.23 2 5 0 61 351.535 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl]-4-piperidyl]-2-cyclopentyl-acetamide N-[1-[2-[bis(2-cyanoethyl)amino]…

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) 0.16 9.65 -63.3 2 7 1 101 374.509 9 ↓
Mid Mid (pH 6-8) 0.16 7.45 -21.79 1 7 0 100 373.501 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.90 9.89 -45.69 2 5 1 60 339.5 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-allyl-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]propanamide (2S)-N-allyl-2-[4-[(2-cyclopenty…

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 6.59 -39.24 3 5 1 63 322.473 7 ↓
Mid Mid (pH 6-8) 1.97 4.39 -12.91 2 5 0 61 321.465 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-allyl-2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]propanamide (2R)-N-allyl-2-[4-[(2-cyclopenty…

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 6.62 -39.07 3 5 1 63 322.473 7 ↓
Mid Mid (pH 6-8) 1.97 4.39 -12.94 2 5 0 61 321.465 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-(ethylcarbamoyl)acetamide 2-[4-[(2-cyclopentylacetyl)amino…

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) 1.52 3.61 -20.56 3 7 0 91 338.452 6 ↓
Mid Mid (pH 6-8) 1.52 5.78 -54.17 4 7 1 92 339.46 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-N-(methylcarbamoyl)acetamide 2-[4-[(2-cyclopentylacetyl)amino…

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) 1.15 2.77 -21.17 3 7 0 91 324.425 5 ↓
Mid Mid (pH 6-8) 1.15 4.94 -54.72 4 7 1 92 325.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-N-[1-(dimethylsulfamoyl)-4-piperidyl]acetamide 2-cyclopentyl-N-[1-(dimethylsulf…

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) 1.27 3.4 -12.22 1 6 0 70 317.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[butyl(methyl)sulfamoyl]-4-piperidyl]-2-cyclopentyl-acetamide N-[1-[butyl(methyl)sulfamoyl]-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) 2.71 5.75 -11.48 1 6 0 70 359.536 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-butylsulfonyl-4-piperidyl)-2-cyclopentyl-acetamide N-(1-butylsulfonyl-4-piperidyl)-…

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) 2.70 5.53 -12.82 1 5 0 66 330.494 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-cyclopentylacetyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide 4-[(2-cyclopentylacetyl)amino]-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) 3.02 5.64 -11.98 2 5 0 61 335.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-cyclopentylacetyl)amino]-N-pentyl-piperidine-1-carboxamide 4-[(2-cyclopentylacetyl)amino]-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) 4.04 7.52 -13.61 2 5 0 61 323.481 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-cyclopentylacetyl)amino]-N-(3-isobutoxypropyl)piperidine-1-carboxamide 4-[(2-cyclopentylacetyl)amino]-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) 3.47 7.49 -13.68 2 6 0 71 367.534 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-cyclopentylacetyl)amino]-N-[(1R)-1-methyl-2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]piperidin 4-[(2-cyclopentylacetyl)amino]-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) 2.74 6.27 -13.6 3 7 0 91 380.533 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-cyclopentylacetyl)amino]-N-[(1R)-1-methyl-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]piperidin 4-[(2-cyclopentylacetyl)amino]-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) 2.74 6.27 -13.62 3 7 0 91 380.533 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-cyclopentylacetyl)amino]-N-[(1S)-1-methyl-2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]piperidin 4-[(2-cyclopentylacetyl)amino]-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) 2.74 6.28 -14.13 3 7 0 91 380.533 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-cyclopentylacetyl)amino]-N-[(1S)-1-methyl-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]piperidin 4-[(2-cyclopentylacetyl)amino]-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) 2.74 6.28 -14.14 3 7 0 91 380.533 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-cyclopentylacetyl)amino]-N-(2-ethylbutyl)piperidine-1-carboxamide 4-[(2-cyclopentylacetyl)amino]-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) 4.22 8.02 -10.78 2 5 0 61 337.508 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-5-oxo-N-propyl-pentanamide 5-[4-[(2-cyclopentylacetyl)amino…

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) 2.24 6.93 -24.55 2 6 0 79 365.518 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[(2-cyclopentylacetyl)amino]-1-piperidyl]-2-oxo-ethyl]-4-methyl-pentanamide N-[2-[4-[(2-cyclopentylacetyl)am…

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) 2.24 6.72 -13.25 2 6 0 79 365.518 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: butyl butyl

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) 3.15 10.36 -46.73 2 5 1 60 339.5 10 ↓

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) 2.09 8.78 -46.74 2 5 1 60 311.446 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-N-[1-[(2S)-2-hydroxybutyl]-4-piperidyl]acetamide 2-cyclopentyl-N-[1-[(2S)-2-hydro…

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 5.45 -40.07 3 4 1 54 283.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-N-[1-[(2R)-2-hydroxybutyl]-4-piperidyl]acetamide 2-cyclopentyl-N-[1-[(2R)-2-hydro…

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 5.49 -40.07 3 4 1 54 283.436 6 ↓

Parameters Provided:

ring.id = 64579
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 = 64579 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=64579&filter.purchasability=annotated

Embed Link to Results