UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-morpholino-2-phenyl-propan-1-one (2R)-2-amino-1-morpholino-2-phen…

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) 0.95 2.41 -6.55 2 4 0 56 234.299 2 ↓
Mid Mid (pH 6-8) 0.95 2.62 -46.8 3 4 1 57 235.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-morpholino-2-phenyl-propan-1-one (2S)-2-amino-1-morpholino-2-phen…

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) 0.95 2.38 -8.38 2 4 0 56 234.299 2 ↓
Mid Mid (pH 6-8) 0.95 2.64 -46.87 3 4 1 57 235.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S,6R)-2,6-dime…

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) 1.68 3.92 -6.35 2 4 0 56 262.353 2 ↓
Mid Mid (pH 6-8) 1.68 4.09 -47.29 3 4 1 57 263.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S,6S)-2,6-dime…

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) 1.68 3.89 -6.12 2 4 0 56 262.353 2 ↓
Mid Mid (pH 6-8) 1.68 4.09 -46.91 3 4 1 57 263.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R,6R)-2,6-dime…

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) 1.68 4.37 -7.88 2 4 0 56 262.353 2 ↓
Mid Mid (pH 6-8) 1.68 4.58 -47.88 3 4 1 57 263.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2R)-2-methylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R)-2-methylmor…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 3.09 -8.1 2 4 0 56 248.326 2 ↓
Mid Mid (pH 6-8) 1.31 3.34 -47.16 3 4 1 57 249.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2S)-2-methylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S)-2-methylmor…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 3.13 -8.03 2 4 0 56 248.326 2 ↓
Mid Mid (pH 6-8) 1.31 3.39 -46.65 3 4 1 57 249.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-[(2R)-2-methylmorpholin-4-yl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(2R)-2-methylmor…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 3.18 -6.64 2 4 0 56 248.326 2 ↓
Mid Mid (pH 6-8) 1.31 3.39 -46.88 3 4 1 57 249.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-[(2S)-2-methylmorpholin-4-yl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(2S)-2-methylmor…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 3.23 -6.75 2 4 0 56 248.326 2 ↓
Mid Mid (pH 6-8) 1.31 3.38 -47.39 3 4 1 57 249.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(3R)-3-methylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(3R)-3-methylmor…

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) 1.28 3.03 -7.22 2 4 0 56 248.326 2 ↓
Mid Mid (pH 6-8) 1.28 3.27 -46.5 3 4 1 57 249.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(3S)-3-methylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(3S)-3-methylmor…

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) 1.28 2.96 -7.33 2 4 0 56 248.326 2 ↓
Mid Mid (pH 6-8) 1.28 3.23 -46.03 3 4 1 57 249.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-[(3R)-3-methylmorpholin-4-yl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(3R)-3-methylmor…

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) 1.28 3.11 -5.7 2 4 0 56 248.326 2 ↓
Mid Mid (pH 6-8) 1.28 3.29 -45.94 3 4 1 57 249.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-[(3S)-3-methylmorpholin-4-yl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(3S)-3-methylmor…

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) 1.28 3.06 -5.76 2 4 0 56 248.326 2 ↓
Mid Mid (pH 6-8) 1.28 3.25 -46.22 3 4 1 57 249.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R,5R)-2,5-dime…

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) 1.64 3.98 -6.2 2 4 0 56 262.353 2 ↓
Mid Mid (pH 6-8) 1.64 4.18 -46.5 3 4 1 57 263.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S,5R)-2,5-dime…

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) 1.64 3.78 -5.52 2 4 0 56 262.353 2 ↓
Mid Mid (pH 6-8) 1.64 3.99 -46.04 3 4 1 57 263.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R,5S)-2,5-dime…

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) 1.64 3.86 -5.45 2 4 0 56 262.353 2 ↓
Mid Mid (pH 6-8) 1.64 4.06 -46.03 3 4 1 57 263.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S,5S)-2,5-dime…

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) 1.64 3.94 -6.27 2 4 0 56 262.353 2 ↓
Mid Mid (pH 6-8) 1.64 4.11 -46.68 3 4 1 57 263.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2R)-2-ethylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R)-2-ethylmorp…

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) 1.81 3.93 -7.94 2 4 0 56 262.353 3 ↓
Mid Mid (pH 6-8) 1.81 4.17 -47.11 3 4 1 57 263.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2S)-2-ethylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S)-2-ethylmorp…

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) 1.81 3.97 -7.93 2 4 0 56 262.353 3 ↓
Mid Mid (pH 6-8) 1.81 4.23 -46.51 3 4 1 57 263.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-[(2R)-2-ethylmorpholin-4-yl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(2R)-2-ethylmorp…

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) 1.81 4.01 -6.48 2 4 0 56 262.353 3 ↓
Mid Mid (pH 6-8) 1.81 4.23 -46.71 3 4 1 57 263.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-[(2S)-2-ethylmorpholin-4-yl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(2S)-2-ethylmorp…

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) 1.81 4.07 -6.6 2 4 0 56 262.353 3 ↓
Mid Mid (pH 6-8) 1.81 4.22 -47.32 3 4 1 57 263.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R,5R)-5-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) 2.18 4.85 -6.01 2 4 0 56 276.38 3 ↓
Mid Mid (pH 6-8) 2.18 5.05 -46.5 3 4 1 57 277.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R,5S)-5-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) 2.18 4.45 -5.51 2 4 0 56 276.38 3 ↓
Mid Mid (pH 6-8) 2.18 4.63 -45.8 3 4 1 57 277.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S,5R)-5-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) 2.18 4.48 -5.63 2 4 0 56 276.38 3 ↓
Mid Mid (pH 6-8) 2.18 4.52 -46.22 3 4 1 57 277.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S,5S)-5-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) 2.18 4.92 -5.94 2 4 0 56 276.38 3 ↓
Mid Mid (pH 6-8) 2.18 5.1 -46.66 3 4 1 57 277.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-2-phenyl-propan-1-one (2R)-2-amino-1-(2,2-dimethylmorp…

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) 1.76 4 -5.95 2 4 0 56 262.353 2 ↓
Mid Mid (pH 6-8) 1.76 4.21 -46.6 3 4 1 57 263.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-2-phenyl-propan-1-one (2S)-2-amino-1-(2,2-dimethylmorp…

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) 1.76 3.99 -7.74 2 4 0 56 262.353 2 ↓
Mid Mid (pH 6-8) 1.76 4.18 -47.03 3 4 1 57 263.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(3R)-3-ethylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(3R)-3-ethylmorp…

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) 1.81 3.74 -5.74 2 4 0 56 262.353 3 ↓
Mid Mid (pH 6-8) 1.81 3.79 -46.15 3 4 1 57 263.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(3S)-3-ethylmorpholin-4-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(3S)-3-ethylmorp…

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) 1.81 3.7 -5.73 2 4 0 56 262.353 3 ↓
Mid Mid (pH 6-8) 1.81 3.88 -45.72 3 4 1 57 263.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-[(3R)-3-ethylmorpholin-4-yl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(3R)-3-ethylmorp…

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) 1.81 3.65 -7.05 2 4 0 56 262.353 3 ↓
Mid Mid (pH 6-8) 1.81 3.91 -45.98 3 4 1 57 263.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-[(3S)-3-ethylmorpholin-4-yl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(3S)-3-ethylmorp…

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) 1.81 3.61 -7.1 2 4 0 56 262.353 3 ↓
Mid Mid (pH 6-8) 1.81 3.85 -46.22 3 4 1 57 263.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-propan-1-one (2R)-2-amino-1-(3,3-dimethylmorp…

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) 1.76 3.71 -5.61 2 4 0 56 262.353 2 ↓
Mid Mid (pH 6-8) 1.76 3.9 -45.85 3 4 1 57 263.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-propan-1-one (2S)-2-amino-1-(3,3-dimethylmorp…

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) 1.76 3.71 -7.19 2 4 0 56 262.353 2 ↓
Mid Mid (pH 6-8) 1.76 3.92 -45.63 3 4 1 57 263.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(2R)-2-amino-2-phenyl-propanoyl]morpholine-2-carboxylic (2S)-4-[(2R)-2-amino-2-phenyl-pr…

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) 0.18 3.79 -51.25 2 6 -1 96 277.3 3 ↓
Mid Mid (pH 6-8) 0.18 3.99 -79.72 3 6 0 97 278.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(2S)-2-amino-2-phenyl-propanoyl]morpholine-2-carboxylic (2S)-4-[(2S)-2-amino-2-phenyl-pr…

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) 0.18 3.75 -53.23 2 6 -1 96 277.3 3 ↓
Mid Mid (pH 6-8) 0.18 4.02 -77.02 3 6 0 97 278.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(2R)-2-amino-2-phenyl-propanoyl]morpholine-2-carboxylic (2R)-4-[(2R)-2-amino-2-phenyl-pr…

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) 0.18 3.87 -50.85 2 6 -1 96 277.3 3 ↓
Mid Mid (pH 6-8) 0.18 4.03 -78.1 3 6 0 97 278.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(2S)-2-amino-2-phenyl-propanoyl]morpholine-2-carboxylic (2R)-4-[(2S)-2-amino-2-phenyl-pr…

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) 0.18 3.82 -54.05 2 6 -1 96 277.3 3 ↓
Mid Mid (pH 6-8) 0.18 4.08 -79.79 3 6 0 97 278.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]propan-1-one (2R)-2-amino-2-phenyl-1-[(6R)-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) 2.12 4.73 -5.99 2 4 0 56 276.38 2 ↓
Mid Mid (pH 6-8) 2.12 4.94 -46.73 3 4 1 57 277.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one (2R)-2-amino-2-phenyl-1-[(6S)-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) 2.12 4.58 -6.01 2 4 0 56 276.38 2 ↓
Mid Mid (pH 6-8) 2.12 4.72 -46.99 3 4 1 57 277.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]propan-1-one (2S)-2-amino-2-phenyl-1-[(6R)-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) 2.12 4.71 -7.74 2 4 0 56 276.38 2 ↓
Mid Mid (pH 6-8) 2.12 4.91 -47.1 3 4 1 57 277.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one (2S)-2-amino-2-phenyl-1-[(6S)-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) 2.12 4.69 -7.72 2 4 0 56 276.38 2 ↓
Mid Mid (pH 6-8) 2.12 4.95 -46.83 3 4 1 57 277.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-1-morpholino-2-(4-propoxyphenyl)ethanone (2S)-2-chloro-1-morpholino-2-(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) 2.63 6.43 -10.06 0 4 0 39 297.782 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-1-morpholino-2-(4-propoxyphenyl)ethanone (2R)-2-chloro-1-morpholino-2-(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) 2.63 6.43 -9.84 0 4 0 39 297.782 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-1-morpholino-2-(3-propoxyphenyl)ethanone (2S)-2-chloro-1-morpholino-2-(3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 6.42 -8.38 0 4 0 39 297.782 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-1-morpholino-2-(3-propoxyphenyl)ethanone (2R)-2-chloro-1-morpholino-2-(3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 6.42 -8.25 0 4 0 39 297.782 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone 2-(3-aminophenyl)-1-[(2R)-2-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.73 3.63 -10.16 2 4 0 56 234.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone 2-(3-aminophenyl)-1-[(2S)-2-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.73 3.63 -10.16 2 4 0 56 234.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone 2-(3-aminophenyl)-1-[(3R)-3-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.70 3.53 -9.18 2 4 0 56 234.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-1-[(3S)-3-methylmorpholin-4-yl]ethanone 2-(3-aminophenyl)-1-[(3S)-3-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.70 3.51 -9.22 2 4 0 56 234.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone 2-(3-aminophenyl)-1-[(2R,5R)-2,5…

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) 1.06 4.42 -9.8 2 4 0 56 248.326 2 ↓

Parameters Provided:

ring.id = 30399
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 = 30399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30399&filter.purchasability=annotated

Embed Link to Results