Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_53i3dipqa5rb4c9gg6hlqbgsk7, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methanamine [(2S,5R)-5-(morpholinomethyl)tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.65 -0.9 -40.67 3 4 1 49 201.29 3 ↓
Mid Mid (pH 6-8) -0.65 1.48 -95.56 4 4 2 51 202.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methanamine [(2S,5S)-5-(morpholinomethyl)tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.65 -0.43 -42.49 3 4 1 49 201.29 3 ↓
Mid Mid (pH 6-8) -0.65 1.54 -95.81 4 4 2 51 202.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methanamine [(2R,5R)-5-(morpholinomethyl)tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.65 -0.77 -40.78 3 4 1 49 201.29 3 ↓
Mid Mid (pH 6-8) -0.65 1.56 -96.17 4 4 2 51 202.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-(morpholinomethyl)tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.65 -0.92 -41.01 3 4 1 49 201.29 3 ↓
Mid Mid (pH 6-8) -0.65 1.45 -95.95 4 4 2 51 202.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methanamine N-methyl-1-[(2S,5R)-5-(morpholin…

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) 0.34 1.01 -36.62 2 4 1 38 215.317 4 ↓
Mid Mid (pH 6-8) 0.34 3.36 -91.13 3 4 2 40 216.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methanamine N-methyl-1-[(2R,5R)-5-(morpholin…

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) 0.34 1.12 -36.1 2 4 1 38 215.317 4 ↓
Mid Mid (pH 6-8) 0.34 3.45 -91.88 3 4 2 40 216.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methanamine N-methyl-1-[(2S,5S)-5-(morpholin…

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) 0.34 1.45 -37.69 2 4 1 38 215.317 4 ↓
Mid Mid (pH 6-8) 0.34 3.41 -91.43 3 4 2 40 216.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methanamine N-methyl-1-[(2R,5S)-5-(morpholin…

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) 0.34 0.97 -36.24 2 4 1 38 215.317 4 ↓
Mid Mid (pH 6-8) 0.34 3.33 -91.53 3 4 2 40 216.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5R)-5-(morpholinomethyl)…

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) 0.36 1.87 -35.92 2 4 1 38 229.344 5 ↓
Mid Mid (pH 6-8) 0.36 4.22 -90.93 3 4 2 40 230.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5R)-5-(morpholinomethyl)…

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) 0.36 1.97 -35.4 2 4 1 38 229.344 5 ↓
Mid Mid (pH 6-8) 0.36 4.3 -91.46 3 4 2 40 230.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5S)-5-(morpholinomethyl)…

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) 0.36 2.3 -36.93 2 4 1 38 229.344 5 ↓
Mid Mid (pH 6-8) 0.36 4.27 -91.23 3 4 2 40 230.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5S)-5-(morpholinomethyl)…

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) 0.36 1.82 -35.59 2 4 1 38 229.344 5 ↓
Mid Mid (pH 6-8) 0.36 4.18 -91.24 3 4 2 40 230.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5R)-5-(morpholinomethyl)…

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 2.62 -36.72 2 4 1 38 243.371 6 ↓
Mid Mid (pH 6-8) 0.86 4.97 -92.53 3 4 2 40 244.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5R)-5-(morpholinomethyl)…

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 2.72 -36.17 2 4 1 38 243.371 6 ↓
Mid Mid (pH 6-8) 0.86 5.05 -93.15 3 4 2 40 244.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5S)-5-(morpholinomethyl)…

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 3.05 -37.8 2 4 1 38 243.371 6 ↓
Mid Mid (pH 6-8) 0.86 5.01 -92.76 3 4 2 40 244.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5S)-5-(morpholinomethyl)…

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 2.57 -36.42 2 4 1 38 243.371 6 ↓
Mid Mid (pH 6-8) 0.86 4.93 -92.77 3 4 2 40 244.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5R)-5-(morpholinomethyl)…

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) 1.01 2.39 -34.45 2 4 1 38 243.371 5 ↓
Mid Mid (pH 6-8) 1.01 4.74 -90.23 3 4 2 40 244.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5R)-5-(morpholinomethyl)…

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) 1.01 2.5 -34.37 2 4 1 38 243.371 5 ↓
Mid Mid (pH 6-8) 1.01 4.83 -90.95 3 4 2 40 244.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5S)-5-(morpholinomethyl)…

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) 1.01 2.82 -35.55 2 4 1 38 243.371 5 ↓
Mid Mid (pH 6-8) 1.01 4.79 -90.43 3 4 2 40 244.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-(morpholinomethyl)…

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) 1.01 2.35 -34.58 2 4 1 38 243.371 5 ↓
Mid Mid (pH 6-8) 1.01 4.71 -90.67 3 4 2 40 244.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2S,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2S,5R)-5-(morpholi…

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 2.85 -33.24 2 4 1 38 257.398 5 ↓
Mid Mid (pH 6-8) 1.52 5.16 -89.46 3 4 2 40 258.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2R,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2R,5R)-5-(morpholi…

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 2.91 -32.8 2 4 1 38 257.398 5 ↓
Mid Mid (pH 6-8) 1.52 5.25 -90.35 3 4 2 40 258.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2S,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2S,5S)-5-(morpholi…

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 2.83 -33.05 2 4 1 38 257.398 5 ↓
Mid Mid (pH 6-8) 1.52 5.18 -89.77 3 4 2 40 258.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2R,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2R,5S)-5-(morpholi…

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 3.2 -34.41 2 4 1 38 257.398 5 ↓
Mid Mid (pH 6-8) 1.52 5.17 -89.97 3 4 2 40 258.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2S,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2S,5R)-5-(morpholi…

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) 1.11 3.3 -36.8 2 4 1 38 257.398 6 ↓
Mid Mid (pH 6-8) 1.11 5.66 -93.09 3 4 2 40 258.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2R,5R)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2R,5R)-5-(morpholi…

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) 1.11 3.41 -36.13 2 4 1 38 257.398 6 ↓
Mid Mid (pH 6-8) 1.11 5.74 -93.78 3 4 2 40 258.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2S,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2S,5S)-5-(morpholi…

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) 1.11 3.74 -37.86 2 4 1 38 257.398 6 ↓
Mid Mid (pH 6-8) 1.11 5.71 -93.31 3 4 2 40 258.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2R,5S)-5-(morpholinomethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2R,5S)-5-(morpholi…

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) 1.11 3.26 -36.31 2 4 1 38 257.398 6 ↓
Mid Mid (pH 6-8) 1.11 5.62 -93.47 3 4 2 40 258.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-[[(2S,6R)-2,6-dimethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.08 1.04 -43.08 3 4 1 49 229.344 3 ↓
Mid Mid (pH 6-8) 0.08 3.01 -97.61 4 4 2 51 230.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-[[(2S,6S)-2,6-dimethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.08 1.34 -42.79 3 4 1 49 229.344 3 ↓
Mid Mid (pH 6-8) 0.08 2.97 -96.92 4 4 2 51 230.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-[[(2R,6R)-2,6-dimethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.08 1.34 -42.25 3 4 1 49 229.344 3 ↓
Mid Mid (pH 6-8) 0.08 2.97 -96.94 4 4 2 51 230.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5S)-5-[[(2S,6R)-2,6-dimet…

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 2.92 -38.32 2 4 1 38 243.371 4 ↓
Mid Mid (pH 6-8) 1.06 4.89 -93.13 3 4 2 40 244.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5S)-5-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5S)-5-[[(2S,6S)-2,6-dimet…

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 3.21 -38.04 2 4 1 38 243.371 4 ↓
Mid Mid (pH 6-8) 1.06 4.85 -92.45 3 4 2 40 244.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5S)-5-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5S)-5-[[(2R,6R)-2,6-dimet…

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 3.21 -37.49 2 4 1 38 243.371 4 ↓
Mid Mid (pH 6-8) 1.06 4.85 -92.39 3 4 2 40 244.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5R)-5-[[(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) 1.09 3.4 -36.03 2 4 1 38 257.398 5 ↓
Mid Mid (pH 6-8) 1.09 5.71 -92.54 3 4 2 40 258.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5R)-5-[[(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) 1.09 3.47 -35.6 2 4 1 38 257.398 5 ↓
Mid Mid (pH 6-8) 1.09 5.79 -93.17 3 4 2 40 258.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5S)-5-[[(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) 1.09 3.36 -35.79 2 4 1 38 257.398 5 ↓
Mid Mid (pH 6-8) 1.09 5.72 -92.81 3 4 2 40 258.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5S)-5-[[(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) 1.09 3.32 -35.74 2 4 1 38 257.398 5 ↓
Mid Mid (pH 6-8) 1.09 5.67 -92.88 3 4 2 40 258.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5R)-5-[[(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) 1.59 4.15 -36.81 2 4 1 38 271.425 6 ↓
Mid Mid (pH 6-8) 1.59 6.45 -94.22 3 4 2 40 272.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5R)-5-[[(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) 1.59 4.22 -36.41 2 4 1 38 271.425 6 ↓
Mid Mid (pH 6-8) 1.59 6.54 -94.81 3 4 2 40 272.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5S)-5-[[(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) 1.59 4.12 -36.58 2 4 1 38 271.425 6 ↓
Mid Mid (pH 6-8) 1.59 6.47 -94.39 3 4 2 40 272.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5S)-5-[[(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) 1.59 4.07 -36.63 2 4 1 38 271.425 6 ↓
Mid Mid (pH 6-8) 1.59 6.42 -94.51 3 4 2 40 272.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-[[(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) 1.73 4.29 -36.52 2 4 1 38 271.425 5 ↓
Mid Mid (pH 6-8) 1.73 6.27 -92.42 3 4 2 40 272.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-[[(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) 1.73 4.6 -36.24 2 4 1 38 271.425 5 ↓
Mid Mid (pH 6-8) 1.73 6.23 -91.72 3 4 2 40 272.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-[[(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) 1.73 4.59 -35.75 2 4 1 38 271.425 5 ↓
Mid Mid (pH 6-8) 1.73 6.23 -91.61 3 4 2 40 272.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-prop N-[[(2R,5S)-5-[[(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) 2.25 4.72 -34.93 2 4 1 38 285.452 5 ↓
Mid Mid (pH 6-8) 2.25 6.7 -91.57 3 4 2 40 286.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-prop N-[[(2R,5S)-5-[[(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) 2.25 5.02 -34.65 2 4 1 38 285.452 5 ↓
Mid Mid (pH 6-8) 2.25 6.65 -90.86 3 4 2 40 286.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-prop N-[[(2R,5S)-5-[[(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) 2.25 5.01 -34.08 2 4 1 38 285.452 5 ↓
Mid Mid (pH 6-8) 2.25 6.66 -90.77 3 4 2 40 286.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-prop N-[[(2R,5S)-5-[[(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) 1.83 5.21 -38.21 2 4 1 38 285.452 6 ↓
Mid Mid (pH 6-8) 1.83 7.18 -95.01 3 4 2 40 286.46 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-prop N-[[(2R,5S)-5-[[(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) 1.83 5.51 -38.07 2 4 1 38 285.452 6 ↓
Mid Mid (pH 6-8) 1.83 7.14 -94.36 3 4 2 40 286.46 6 ↓

Parameters Provided:

ring.id = 28722
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 = 28722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28722&filter.purchasability=annotated

Embed Link to Results