UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-piperidineacetamide, N-cyclohexyl-N,4-dimethyl- 1-piperidineacetamide, N-cyclohe…

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) 2.75 8.97 -36.19 1 3 1 25 253.41 3 ↓
Hi High (pH 8-9.5) 2.75 6.77 -7.55 0 3 0 24 252.402 3 ↓

Analogs

44649861
44649861

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) 2.99 10.85 -37.23 1 5 1 51 325.473 7 ↓
Mid Mid (pH 6-8) 2.99 8.67 -7.45 0 5 0 50 324.465 7 ↓

Analogs

44649859
44649859
44649861
44649861

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) 2.99 10.85 -37.3 1 5 1 51 325.473 7 ↓
Mid Mid (pH 6-8) 2.99 8.67 -7.41 0 5 0 50 324.465 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[(3S)-3-hydroxy-1-piperidyl]propanamide (2R)-N-[(1S,2R,3R)-2,3-dimethylc…

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 4.55 -35.31 3 4 1 54 283.436 3 ↓
Hi High (pH 8-9.5) 1.92 2.34 -7.16 2 4 0 53 282.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[(3S)-3-hydroxy-1-piperidyl]propanamide (2R)-N-[(1S,2R,3S)-2,3-dimethylc…

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 5.34 -35.32 3 4 1 54 283.436 3 ↓
Hi High (pH 8-9.5) 1.92 3.13 -6.69 2 4 0 53 282.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(3S)-3-hydroxy-1-piperidyl]propanamide (2R)-N-[(1R,2R,3R)-2,3-dimethylc…

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 4.71 -35.3 3 4 1 54 283.436 3 ↓
Hi High (pH 8-9.5) 1.92 2.51 -7.16 2 4 0 53 282.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(3S)-3-hydroxy-1-piperidyl]propanamide (2R)-N-[(1R,2R,3S)-2,3-dimethylc…

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 4.95 -35.41 3 4 1 54 283.436 3 ↓
Hi High (pH 8-9.5) 1.92 2.73 -7.17 2 4 0 53 282.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-(1-cyanocyclohexyl)-N-methyl-acetamide 2-(4-amino-1-piperidyl)-N-(1-cya…

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) 0.72 3.04 -51.8 3 5 1 75 279.408 3 ↓
Lo Low (pH 4.5-6) 0.72 5.25 -115.84 4 5 2 76 280.416 3 ↓

Analogs

19688366
19688366

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-cyclohexyl-N-isopropyl-acetamide 2-(4-amino-1-piperidyl)-N-cycloh…

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) 1.54 4.88 -43.81 3 4 1 51 282.452 4 ↓
Lo Low (pH 4.5-6) 1.54 7.05 -107.37 4 4 2 52 283.46 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide 2-(4-amino-1-piperidyl)-N-[(1S,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) 1.60 2.59 -44.84 4 4 1 60 268.425 3 ↓
Lo Low (pH 4.5-6) 1.60 4.78 -106.83 5 4 2 61 269.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide 2-(4-amino-1-piperidyl)-N-[(1S,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) 1.60 3.38 -44.41 4 4 1 60 268.425 3 ↓
Lo Low (pH 4.5-6) 1.60 5.57 -107.51 5 4 2 61 269.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide 2-(4-amino-1-piperidyl)-N-[(1R,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) 1.60 2.76 -44.7 4 4 1 60 268.425 3 ↓
Lo Low (pH 4.5-6) 1.60 4.95 -106.93 5 4 2 61 269.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide 2-(4-amino-1-piperidyl)-N-[(1R,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) 1.60 2.98 -44.82 4 4 1 60 268.425 3 ↓
Lo Low (pH 4.5-6) 1.60 5.17 -106.94 5 4 2 61 269.433 3 ↓

Analogs

19688366
19688366

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-cyclohexyl-N-methyl-acetamide 2-(4-amino-1-piperidyl)-N-cycloh…

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) 0.86 3.41 -45.43 3 4 1 51 254.398 3 ↓
Lo Low (pH 4.5-6) 0.87 5.6 -106.67 4 4 2 52 255.406 3 ↓

Analogs

42472695
42472695

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-(4-methylcyclohexyl)acetamide 2-(4-amino-1-piperidyl)-N-(4-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) 0.89 2.67 -44.73 4 4 1 60 254.398 3 ↓
Lo Low (pH 4.5-6) 0.89 4.86 -106.98 5 4 2 61 255.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-(1-cyanocyclohexyl)acetamide 2-(4-amino-1-piperidyl)-N-(1-cya…

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 1.38 -51.34 4 5 1 84 265.381 3 ↓
Lo Low (pH 4.5-6) 0.98 3.57 -115.94 5 5 2 85 266.389 3 ↓

Analogs

42472695
42472695

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-methyl-N-(4-methylcyclohexyl)acetamide 2-(4-amino-1-piperidyl)-N-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) 0.64 4.03 -44.82 3 4 1 51 268.425 3 ↓
Lo Low (pH 4.5-6) 0.64 6.21 -107.79 4 4 2 52 269.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide 2-(4-amino-1-piperidyl)-N-[(1S,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) 1.36 2.91 -44.59 4 4 1 60 254.398 3 ↓
Lo Low (pH 4.5-6) 1.36 5.1 -107.18 5 4 2 61 255.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide 2-(4-amino-1-piperidyl)-N-[(1S,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) 1.36 2.52 -44.91 4 4 1 60 254.398 3 ↓
Lo Low (pH 4.5-6) 1.36 4.7 -106.83 5 4 2 61 255.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide 2-(4-amino-1-piperidyl)-N-[(1R,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) 1.36 2.52 -44.91 4 4 1 60 254.398 3 ↓
Lo Low (pH 4.5-6) 1.36 4.7 -106.86 5 4 2 61 255.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide 2-(4-amino-1-piperidyl)-N-[(1R,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) 1.36 2.91 -44.6 4 4 1 60 254.398 3 ↓
Lo Low (pH 4.5-6) 1.36 5.1 -107.12 5 4 2 61 255.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-4-carboxylic 4-methyl-1-[2-[[(1S,2R)-2-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) 2.36 8.66 -64.7 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.36 6.48 -55.72 1 5 -1 72 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-4-carboxylic 4-methyl-1-[2-[[(1S,2S)-2-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) 2.36 8.27 -64.67 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.36 6.1 -56.11 1 5 -1 72 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-4-carboxylic 4-methyl-1-[2-[[(1R,2R)-2-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) 2.36 8.27 -64.7 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.36 6.1 -56.16 1 5 -1 72 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-4-carboxylic 4-methyl-1-[2-[[(1R,2S)-2-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) 2.36 8.66 -64.61 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.36 6.48 -55.67 1 5 -1 72 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]piperidine-4-carboxylic 4-methyl-1-[2-[(4-methylcyclohex…

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) 1.89 8.01 -64.74 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 1.89 5.85 -56.12 1 5 -1 72 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]-4-methyl-piperidine-4-carboxylic 1-[2-[cyclohexyl(methyl)amino]-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) 1.86 9.18 -64.22 1 5 0 65 296.411 4 ↓
Hi High (pH 8-9.5) 1.86 7 -56.69 0 5 -1 64 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(cyclohexylamino)-2-oxo-ethyl]-4-methyl-piperidine-4-carboxylic 1-[2-(cyclohexylamino)-2-oxo-eth…

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 7.42 -64.85 2 5 0 74 282.384 4 ↓
Hi High (pH 8-9.5) 2.12 5.25 -56.37 1 5 -1 72 281.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(cyclohexylamino)-2-oxo-ethyl]-4-ethyl-piperidine-4-carboxylic 1-[2-(cyclohexylamino)-2-oxo-eth…

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 7.89 -64.27 2 5 0 74 296.411 5 ↓
Hi High (pH 8-9.5) 2.45 5.72 -55.88 1 5 -1 72 295.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-[[(1S,2R)-2-m…

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 8.85 -47.08 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.36 7.06 -47.58 1 5 -1 72 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-[[(1S,2S)-2-m…

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 8.46 -47.42 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.36 6.66 -48 1 5 -1 72 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-[[(1R,2R)-2-m…

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 8.46 -47.41 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.36 6.66 -47.99 1 5 -1 72 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-[[(1R,2S)-2-m…

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 8.85 -47.04 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 2.36 7.06 -47.48 1 5 -1 72 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-[(4-methylcyc…

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) 1.89 8.21 -47.5 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 1.89 6.41 -48.03 1 5 -1 72 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]piperidine-3-carboxylic (3S)-3-methyl-1-[2-[(4-methylcyc…

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) 1.89 8.59 -46.48 2 5 0 74 296.411 4 ↓
Hi High (pH 8-9.5) 1.89 6.79 -47.29 1 5 -1 72 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[2-[cyclohexyl(methyl)ami…

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) 1.86 9.37 -46.45 1 5 0 65 296.411 4 ↓
Hi High (pH 8-9.5) 1.86 7.56 -48.43 0 5 -1 64 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-[cyclohexyl(methyl)ami…

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) 1.86 9.34 -45.68 1 5 0 65 296.411 4 ↓
Hi High (pH 8-9.5) 1.86 7.53 -48.06 0 5 -1 64 295.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(cyclohexylamino)-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[2-(cyclohexylamino)-2-ox…

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 7.6 -47.47 2 5 0 74 282.384 4 ↓
Hi High (pH 8-9.5) 2.12 5.8 -48.33 1 5 -1 72 281.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(cyclohexylamino)-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-(cyclohexylamino)-2-ox…

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 7.57 -46.76 2 5 0 74 282.384 4 ↓
Hi High (pH 8-9.5) 2.12 5.77 -47.88 1 5 -1 72 281.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(cyclohexylamino)-2-oxo-ethyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[2-(cyclohexylamino)-2-ox…

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 8.14 -44.2 2 5 0 74 296.411 5 ↓
Hi High (pH 8-9.5) 2.45 6.62 -55.04 1 5 -1 72 295.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(cyclohexylamino)-2-oxo-ethyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[2-(cyclohexylamino)-2-ox…

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 8.2 -44.81 2 5 0 74 296.411 5 ↓
Hi High (pH 8-9.5) 2.45 6.61 -56.82 1 5 -1 72 295.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-N-ethyl-2-[(3S)-3-(methanesulfonamido)-1-piperidyl]propanamide (2R)-N-cyclohexyl-N-ethyl-2-[(3S…

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) 1.86 5.33 -47.33 2 6 1 71 360.544 6 ↓
Mid Mid (pH 6-8) 1.86 2.91 -14.35 1 6 0 70 359.536 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-N-ethyl-2-[(3S)-3-(methanesulfonamido)-1-piperidyl]propanamide (2S)-N-cyclohexyl-N-ethyl-2-[(3S…

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) 1.86 5.3 -48.91 2 6 1 71 360.544 6 ↓
Mid Mid (pH 6-8) 1.86 3.18 -15.69 1 6 0 70 359.536 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]-3-piperidyl]methyl]-2-methyl-propanamide N-[[(3S)-1-[(1S)-2-(cyclohexylam…

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) 2.68 7.48 -42.69 3 5 1 63 338.516 6 ↓
Hi High (pH 8-9.5) 2.68 5.34 -11.68 2 5 0 61 337.508 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]-3-piperidyl]methyl]-2-methyl-propanamide N-[[(3R)-1-[(1S)-2-(cyclohexylam…

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) 2.68 7.48 -41.74 3 5 1 63 338.516 6 ↓
Hi High (pH 8-9.5) 2.68 5.28 -13 2 5 0 61 337.508 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[(3S)-3-[(sulfamoylamino)methyl]-1-piperidyl]acetamide N-[(1S,2R)-2-methylcyclohexyl]-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) 1.41 2.01 -51.56 5 7 1 106 347.505 6 ↓
Hi High (pH 8-9.5) 1.41 -0.16 -16.48 4 7 0 105 346.497 6 ↓
Hi High (pH 8-9.5) 1.41 1.65 -48.6 4 7 0 108 346.497 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-[(sulfamoylamino)methyl]-1-piperidyl]acetamide N-[(1S,2S)-2-methylcyclohexyl]-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) 1.41 1.62 -51.65 5 7 1 106 347.505 6 ↓
Hi High (pH 8-9.5) 1.41 1.26 -48.95 4 7 0 108 346.497 6 ↓
Hi High (pH 8-9.5) 1.41 -0.92 -44 3 7 -1 107 345.489 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-methylcyclohexyl]-2-[(3S)-3-[(sulfamoylamino)methyl]-1-piperidyl]acetamide N-[(1R,2R)-2-methylcyclohexyl]-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) 1.41 1.62 -51.63 5 7 1 106 347.505 6 ↓
Hi High (pH 8-9.5) 1.41 -0.55 -17.08 4 7 0 105 346.497 6 ↓
Hi High (pH 8-9.5) 1.41 1.26 -48.96 4 7 0 108 346.497 6 ↓

Analogs

44650506
44650506
44650507
44650507

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[(3S)-3-[(sulfamoylamino)methyl]-1-piperidyl]acetamide N-[(1R,2S)-2-methylcyclohexyl]-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) 1.41 2.01 -51.63 5 7 1 106 347.505 6 ↓
Hi High (pH 8-9.5) 1.41 -0.52 -43.55 3 7 -1 107 345.489 6 ↓
Hi High (pH 8-9.5) 1.41 -0.16 -16.56 4 7 0 105 346.497 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(3R)-1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]-3-piperidyl]methyl]propanami 2-methyl-N-[[(3R)-1-[2-[[(1S,2R)…

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) 3.10 8.36 -44.58 3 5 1 63 338.516 6 ↓
Hi High (pH 8-9.5) 3.10 6.18 -11.23 2 5 0 61 337.508 6 ↓

Parameters Provided:

ring.id = 29625
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 = 29625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=29625&filter.purchasability=annotated

Embed Link to Results