UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-3-(4-propyl-1-piperidyl)propanoic (2S)-2-amino-2-phenyl-3-(4-propy…

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) 3.04 8.86 -73.94 4 4 1 72 291.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-3-(4-propyl-1-piperidyl)propanoic (2R)-2-amino-2-phenyl-3-(4-propy…

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) 3.04 9.06 -69.89 4 4 1 72 291.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-3-(4-propyl-1-piperidyl)propanamide (2S)-2-amino-2-phenyl-3-(4-propy…

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) 2.53 4.9 -41.15 5 4 1 74 290.431 6 ↓
Hi High (pH 8-9.5) 2.53 3.01 -7.17 4 4 0 72 289.423 6 ↓
Lo Low (pH 4.5-6) 2.53 5.13 -130.45 6 4 2 75 291.439 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-3-(4-propyl-1-piperidyl)propanamide (2R)-2-amino-2-phenyl-3-(4-propy…

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) 2.53 5.59 -32.65 5 4 1 74 290.431 6 ↓
Hi High (pH 8-9.5) 2.53 3.74 -8.43 4 4 0 72 289.423 6 ↓
Lo Low (pH 4.5-6) 2.53 5.24 -125.45 6 4 2 75 291.439 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-methyl-1-piperidyl)-2-phenyl-propan-2-amine (2R)-1-(4-methyl-1-piperidyl)-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) 2.93 7.38 -32.6 3 2 1 30 233.379 3 ↓
Mid Mid (pH 6-8) 2.93 7.57 -118.34 4 2 2 32 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-methyl-1-piperidyl)-2-phenyl-propan-2-amine (2S)-1-(4-methyl-1-piperidyl)-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) 2.93 7.9 -32.25 3 2 1 30 233.379 3 ↓
Mid Mid (pH 6-8) 2.93 7.47 -118.12 4 2 2 32 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2R)-2-methyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2R)-2-methyl-1-piperidy…

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 7.3 -30.14 3 2 1 30 233.379 3 ↓
Hi High (pH 8-9.5) 3.02 4.69 -1.73 2 2 0 29 232.371 3 ↓
Lo Low (pH 4.5-6) 3.02 7.52 -113.77 4 2 2 32 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2S)-2-methyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2S)-2-methyl-1-piperidy…

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 7.12 -29.37 3 2 1 30 233.379 3 ↓
Hi High (pH 8-9.5) 3.02 5.76 -1.45 2 2 0 29 232.371 3 ↓
Lo Low (pH 4.5-6) 3.02 7.34 -113.35 4 2 2 32 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3R)-3-methyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(3R)-3-methyl-1-piperidy…

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) 2.93 7.21 -31.53 3 2 1 30 233.379 3 ↓
Hi High (pH 8-9.5) 2.93 5.51 -1.16 2 2 0 29 232.371 3 ↓
Lo Low (pH 4.5-6) 2.93 7.43 -118.05 4 2 2 32 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3S)-3-methyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(3S)-3-methyl-1-piperidy…

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) 2.93 7.35 -32.28 3 2 1 30 233.379 3 ↓
Hi High (pH 8-9.5) 2.93 5.46 -1.14 2 2 0 29 232.371 3 ↓
Lo Low (pH 4.5-6) 2.93 7.54 -117.86 4 2 2 32 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(3S,5R)-3,5-dimethyl-1-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) 3.41 7.95 -32.23 3 2 1 30 247.406 3 ↓
Lo Low (pH 4.5-6) 3.41 8.14 -119.43 4 2 2 32 248.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(3S,5S)-3,5-dimethyl-1-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) 3.41 7.94 -31.72 3 2 1 30 247.406 3 ↓
Lo Low (pH 4.5-6) 3.41 8.13 -117.29 4 2 2 32 248.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(3R,5R)-3,5-dimethyl-1-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) 3.41 7.8 -31.05 3 2 1 30 247.406 3 ↓
Lo Low (pH 4.5-6) 3.41 8.03 -117.03 4 2 2 32 248.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2S,6R)-2,6-dimethyl-1-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) 3.35 7.6 -28.82 3 2 1 30 247.406 3 ↓
Hi High (pH 8-9.5) 3.35 5.27 -1.56 2 2 0 29 246.398 3 ↓
Lo Low (pH 4.5-6) 3.35 7.59 -108.59 4 2 2 32 248.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2S,6S)-2,6-dimethyl-1-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) 3.35 7.95 -28.4 3 2 1 30 247.406 3 ↓
Hi High (pH 8-9.5) 3.35 6.02 -1.16 2 2 0 29 246.398 3 ↓
Lo Low (pH 4.5-6) 3.35 7.9 -113.51 4 2 2 32 248.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2R,6R)-2,6-dimethyl-1-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) 3.35 7.48 -28.03 3 2 1 30 247.406 3 ↓
Hi High (pH 8-9.5) 3.35 6.14 -0.79 2 2 0 29 246.398 3 ↓
Lo Low (pH 4.5-6) 3.35 7.69 -114.92 4 2 2 32 248.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2R)-2-ethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2R)-2-ethyl-1-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) 3.56 7.95 -33.01 3 2 1 30 247.406 4 ↓
Hi High (pH 8-9.5) 3.56 5.19 -1.67 2 2 0 29 246.398 4 ↓
Lo Low (pH 4.5-6) 3.56 8.17 -119.15 4 2 2 32 248.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2S)-2-ethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2S)-2-ethyl-1-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) 3.56 8.15 -33.19 3 2 1 30 247.406 4 ↓
Hi High (pH 8-9.5) 3.56 6.39 -1.29 2 2 0 29 246.398 4 ↓
Lo Low (pH 4.5-6) 3.56 8.4 -118.63 4 2 2 32 248.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-methoxy-1-piperidyl)-2-phenyl-propan-2-amine (2S)-1-(4-methoxy-1-piperidyl)-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) 1.42 4.12 -40.65 3 3 1 40 249.378 4 ↓
Hi High (pH 8-9.5) 1.42 4.53 -2.99 2 3 0 38 248.37 4 ↓
Mid Mid (pH 6-8) 1.42 6.28 -34.99 3 3 1 40 249.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-methoxy-1-piperidyl)-2-phenyl-propan-2-amine (2R)-1-(4-methoxy-1-piperidyl)-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) 1.42 4.09 -40.52 3 3 1 40 249.378 4 ↓
Hi High (pH 8-9.5) 1.42 4.02 -2.65 2 3 0 38 248.37 4 ↓
Mid Mid (pH 6-8) 1.42 5.67 -34.7 3 3 1 40 249.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3R)-3-ethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(3R)-3-ethyl-1-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) 3.43 7.86 -32.15 3 2 1 30 247.406 4 ↓
Hi High (pH 8-9.5) 3.43 6.75 -1.6 2 2 0 29 246.398 4 ↓
Lo Low (pH 4.5-6) 3.43 8.09 -119.28 4 2 2 32 248.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3S)-3-ethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(3S)-3-ethyl-1-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) 3.43 8 -32.63 3 2 1 30 247.406 4 ↓
Hi High (pH 8-9.5) 3.43 6.7 -1.62 2 2 0 29 246.398 4 ↓
Lo Low (pH 4.5-6) 3.43 8.2 -119.06 4 2 2 32 248.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-amino-2-phenyl-propyl]-N,N-dimethyl-piperidin-4-amine 1-[(2S)-2-amino-2-phenyl-propyl]…

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) 2.20 5.08 -34.28 3 3 1 34 262.421 4 ↓
Hi High (pH 8-9.5) 2.20 6.52 -32.44 3 3 1 34 262.421 4 ↓
Mid Mid (pH 6-8) 2.20 6.11 -89.8 4 3 2 35 263.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-amino-2-phenyl-propyl]-N,N-dimethyl-piperidin-4-amine 1-[(2R)-2-amino-2-phenyl-propyl]…

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) 2.20 5.69 -34.05 3 3 1 34 262.421 4 ↓
Hi High (pH 8-9.5) 2.20 6.01 -32.99 3 3 1 34 262.421 4 ↓
Mid Mid (pH 6-8) 2.20 6.08 -90.45 4 3 2 35 263.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-ethoxy-1-piperidyl)-2-phenyl-propan-2-amine (2R)-1-(4-ethoxy-1-piperidyl)-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) 1.80 5.05 -40.6 3 3 1 40 263.405 5 ↓
Hi High (pH 8-9.5) 1.80 4.83 -2.44 2 3 0 38 262.397 5 ↓
Mid Mid (pH 6-8) 1.80 6.73 -35.31 3 3 1 40 263.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-ethoxy-1-piperidyl)-2-phenyl-propan-2-amine (2S)-1-(4-ethoxy-1-piperidyl)-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) 1.80 4.96 -40.67 3 3 1 40 263.405 5 ↓
Hi High (pH 8-9.5) 1.80 5.54 -2.93 2 3 0 38 262.397 5 ↓
Mid Mid (pH 6-8) 1.80 7.26 -34.91 3 3 1 40 263.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-ethyl-1-piperidyl)-2-phenyl-propan-2-amine (2R)-1-(4-ethyl-1-piperidyl)-2-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) 3.62 7.89 -32.61 3 2 1 30 247.406 4 ↓
Mid Mid (pH 6-8) 3.62 8.13 -119.29 4 2 2 32 248.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-ethyl-1-piperidyl)-2-phenyl-propan-2-amine (2S)-1-(4-ethyl-1-piperidyl)-2-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) 3.62 8.56 -32.65 3 2 1 30 247.406 4 ↓
Mid Mid (pH 6-8) 3.62 8.13 -119.03 4 2 2 32 248.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-(dimethylaminomethyl)-1-piperidyl]-2-phenyl-propan-2-amine (2S)-1-[4-(dimethylaminomethyl)-…

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) 2.58 8.82 -191.6 5 3 3 37 278.464 5 ↓
Hi High (pH 8-9.5) 2.58 7.01 -86.18 4 3 2 35 277.456 5 ↓
Hi High (pH 8-9.5) 2.58 7.46 -33.74 3 3 1 34 276.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-(dimethylaminomethyl)-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[4-(dimethylaminomethyl)-…

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) 2.58 8.87 -194.46 5 3 3 37 278.464 5 ↓
Hi High (pH 8-9.5) 2.58 7.07 -88.04 4 3 2 35 277.456 5 ↓
Hi High (pH 8-9.5) 2.58 6.9 -34.45 3 3 1 34 276.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-1-[(3R)-3-propoxy-1-piperidyl]propan-2-amine (2R)-2-phenyl-1-[(3R)-3-propoxy-…

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) 3.03 5.76 -41.48 3 3 1 40 277.432 6 ↓
Hi High (pH 8-9.5) 3.03 6.26 -2.55 2 3 0 38 276.424 6 ↓
Mid Mid (pH 6-8) 3.03 8.03 -33.18 3 3 1 40 277.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-1-[(3S)-3-propoxy-1-piperidyl]propan-2-amine (2R)-2-phenyl-1-[(3S)-3-propoxy-…

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) 3.03 5.84 -42.3 3 3 1 40 277.432 6 ↓
Hi High (pH 8-9.5) 3.03 6.22 -2.74 2 3 0 38 276.424 6 ↓
Mid Mid (pH 6-8) 3.03 8.02 -34.13 3 3 1 40 277.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3R)-3-ethoxy-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(3R)-3-ethoxy-1-piperidy…

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) 2.53 4.98 -41.58 3 3 1 40 263.405 5 ↓
Hi High (pH 8-9.5) 2.53 4.89 -2.09 2 3 0 38 262.397 5 ↓
Mid Mid (pH 6-8) 2.53 7.24 -33.28 3 3 1 40 263.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3S)-3-ethoxy-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(3S)-3-ethoxy-1-piperidy…

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) 2.53 5.05 -42.42 3 3 1 40 263.405 5 ↓
Hi High (pH 8-9.5) 2.53 4.82 -2.8 2 3 0 38 262.397 5 ↓
Mid Mid (pH 6-8) 2.53 7.23 -34.13 3 3 1 40 263.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-tert-butyl-1-piperidyl)-2-phenyl-propan-2-amine (2R)-1-(4-tert-butyl-1-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) 4.26 9.31 -33.59 3 2 1 30 275.46 4 ↓
Lo Low (pH 4.5-6) 4.26 8.93 -122.19 4 2 2 32 276.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-tert-butyl-1-piperidyl)-2-phenyl-propan-2-amine (2S)-1-(4-tert-butyl-1-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) 4.26 8.7 -33.62 3 2 1 30 275.46 4 ↓
Lo Low (pH 4.5-6) 4.26 8.88 -121.57 4 2 2 32 276.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2R,3R)-2,3-dimethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2R,3R)-2,3-dimethyl-1-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) 3.26 7.78 -29.95 3 2 1 30 247.406 3 ↓
Hi High (pH 8-9.5) 3.26 5.93 -1.28 2 2 0 29 246.398 3 ↓
Lo Low (pH 4.5-6) 3.26 8.01 -114.27 4 2 2 32 248.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2R,3S)-2,3-dimethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2R,3S)-2,3-dimethyl-1-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) 3.26 7.75 -30.31 3 2 1 30 247.406 3 ↓
Hi High (pH 8-9.5) 3.26 5.54 -1.55 2 2 0 29 246.398 3 ↓
Lo Low (pH 4.5-6) 3.26 7.97 -115.17 4 2 2 32 248.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-1-(4-propyl-1-piperidyl)propan-2-amine (2R)-2-phenyl-1-(4-propyl-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) 4.17 8.8 -33.31 3 2 1 30 261.433 5 ↓
Mid Mid (pH 6-8) 4.17 8.98 -119.88 4 2 2 32 262.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-1-(4-propyl-1-piperidyl)propan-2-amine (2S)-2-phenyl-1-(4-propyl-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) 4.17 9.31 -32.87 3 2 1 30 261.433 5 ↓
Mid Mid (pH 6-8) 4.17 8.87 -119.85 4 2 2 32 262.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2R,4R)-2,4-dimethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2R,4R)-2,4-dimethyl-1-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) 3.26 8.02 -27.89 3 2 1 30 247.406 3 ↓
Mid Mid (pH 6-8) 3.26 8.14 -115.81 4 2 2 32 248.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2R,4S)-2,4-dimethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2R,4S)-2,4-dimethyl-1-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) 3.26 7.8 -27.43 3 2 1 30 247.406 3 ↓
Mid Mid (pH 6-8) 3.26 7.91 -114.94 4 2 2 32 248.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-aminophenyl)ethyl]piperidin-4-ol 1-[2-(2-aminophenyl)ethyl]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) 0.61 3.74 -39.1 4 3 1 51 221.324 3 ↓
Hi High (pH 8-9.5) 0.61 1.51 -4.12 3 3 0 49 220.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl N-[1-(2-hydroxy-2-phenylethyl)-4-piperidyl]carbamate tert-butyl N-[1-(2-hydroxy-2-phe…

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) 4.17 5.92 -43.47 3 5 1 63 321.441 6 ↓
Hi High (pH 8-9.5) 4.17 3.64 -7.62 2 5 0 62 320.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl N-[1-(2-hydroxy-2-phenylethyl)-4-piperidyl]carbamate tert-butyl N-[1-(2-hydroxy-2-phe…

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) 4.17 5.89 -43.5 3 5 1 63 321.441 6 ↓
Hi High (pH 8-9.5) 4.17 3.62 -7.69 2 5 0 62 320.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2-aminophenyl)ethyl]piperidine-3-carboxamide (3S)-1-[2-(2-aminophenyl)ethyl]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) 1.09 3.72 -42.6 5 4 1 74 248.35 4 ↓
Hi High (pH 8-9.5) 1.09 1.48 -8.99 4 4 0 72 247.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2-aminophenyl)ethyl]piperidine-3-carboxamide (3R)-1-[2-(2-aminophenyl)ethyl]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) 1.09 3.72 -42.7 5 4 1 74 248.35 4 ↓
Hi High (pH 8-9.5) 1.09 1.49 -9.06 4 4 0 72 247.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[2-(2-aminophenyl)ethyl]-2-piperidyl]ethanol 2-[(2R)-1-[2-(2-aminophenyl)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) 2.12 4.81 -36.62 4 3 1 51 249.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[2-(2-aminophenyl)ethyl]-2-piperidyl]ethanol 2-[(2S)-1-[2-(2-aminophenyl)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) 2.12 4.85 -36.4 4 3 1 51 249.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-aminophenyl)ethyl]piperidine-4-carboxamide 1-[2-(2-aminophenyl)ethyl]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) 1.09 3.77 -46.29 5 4 1 74 248.35 4 ↓
Hi High (pH 8-9.5) 1.09 1.52 -8.86 4 4 0 72 247.342 4 ↓

Parameters Provided:

ring.id = 7304
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 = 7304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=7304&filter.purchasability=annotated

Embed Link to Results