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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: [(2R,3S)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methanamine [(2R,3S)-4-methyl-3-(3-pyridyl)m…

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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) -0.68 -0.06 -40.85 3 4 1 53 208.285 2 ↓
Hi High (pH 8-9.5) -0.68 -0.51 -4.38 2 4 0 51 207.277 2 ↓
Lo Low (pH 4.5-6) -0.68 0.51 -94.9 4 4 2 54 209.293 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methanamine [(2S,3S)-4-methyl-3-(3-pyridyl)m…

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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) -0.68 0.04 -42.41 3 4 1 53 208.285 2 ↓
Hi High (pH 8-9.5) -0.68 -0.34 -4.77 2 4 0 51 207.277 2 ↓
Lo Low (pH 4.5-6) -0.68 0.5 -96.92 4 4 2 54 209.293 2 ↓

Analogs

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Popular Name: N-methyl-1-[(2R,3S)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methanamine N-methyl-1-[(2R,3S)-4-methyl-3-(…

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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) 0.31 1.82 -36.04 2 4 1 42 222.312 3 ↓
Hi High (pH 8-9.5) 0.31 0.32 -4.32 1 4 0 37 221.304 3 ↓
Lo Low (pH 4.5-6) 0.31 2.4 -90.24 3 4 2 43 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3S)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methanamine N-methyl-1-[(2S,3S)-4-methyl-3-(…

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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) 0.31 1.89 -37.51 2 4 1 42 222.312 3 ↓
Hi High (pH 8-9.5) 0.31 0.46 -4.42 1 4 0 37 221.304 3 ↓
Lo Low (pH 4.5-6) 0.31 2.36 -92.25 3 4 2 43 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3R)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methanamine N-methyl-1-[(2R,3R)-4-methyl-3-(…

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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) 0.31 1.86 -37.57 2 4 1 42 222.312 3 ↓
Hi High (pH 8-9.5) 0.31 0.36 -4.64 1 4 0 37 221.304 3 ↓
Lo Low (pH 4.5-6) 0.31 2.31 -92.51 3 4 2 43 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3R)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methanamine N-methyl-1-[(2S,3R)-4-methyl-3-(…

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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) 0.31 1.93 -36.02 2 4 1 42 222.312 3 ↓
Hi High (pH 8-9.5) 0.31 0.49 -4.04 1 4 0 37 221.304 3 ↓
Lo Low (pH 4.5-6) 0.31 2.53 -89.91 3 4 2 43 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-4-ethyl-3-(3-pyridyl)morpholin-2-yl]methanamine [(2R,3S)-4-ethyl-3-(3-pyridyl)mo…

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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) -0.30 0.7 -40.9 3 4 1 53 222.312 3 ↓
Hi High (pH 8-9.5) -0.30 0.25 -4.22 2 4 0 51 221.304 3 ↓
Lo Low (pH 4.5-6) -0.30 1.27 -95.52 4 4 2 54 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-ethyl-3-(3-pyridyl)morpholin-2-yl]methanamine [(2S,3S)-4-ethyl-3-(3-pyridyl)mo…

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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) -0.30 0.82 -42.34 3 4 1 53 222.312 3 ↓
Hi High (pH 8-9.5) -0.30 0.44 -4.54 2 4 0 51 221.304 3 ↓
Lo Low (pH 4.5-6) -0.30 1.26 -97.49 4 4 2 54 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3S)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methyl]propan-1-amine N-[[(2R,3S)-4-methyl-3-(3-pyridy…

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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) 0.83 3.43 -35.55 2 4 1 42 250.366 5 ↓
Hi High (pH 8-9.5) 0.83 2.02 -4.04 1 4 0 37 249.358 5 ↓
Lo Low (pH 4.5-6) 0.83 4.01 -91.67 3 4 2 43 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methyl]propan-1-amine N-[[(2S,3S)-4-methyl-3-(3-pyridy…

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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) 0.83 3.5 -37.36 2 4 1 42 250.366 5 ↓
Hi High (pH 8-9.5) 0.83 2.16 -4.16 1 4 0 37 249.358 5 ↓
Lo Low (pH 4.5-6) 0.83 3.96 -94 3 4 2 43 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methyl]propan-1-amine N-[[(2R,3R)-4-methyl-3-(3-pyridy…

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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) 0.83 3.47 -37.37 2 4 1 42 250.366 5 ↓
Hi High (pH 8-9.5) 0.83 2.05 -4.36 1 4 0 37 249.358 5 ↓
Lo Low (pH 4.5-6) 0.83 3.93 -94.23 3 4 2 43 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methyl]propan-1-amine N-[[(2S,3R)-4-methyl-3-(3-pyridy…

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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) 0.83 3.53 -35.6 2 4 1 42 250.366 5 ↓
Hi High (pH 8-9.5) 0.83 2.19 -3.82 1 4 0 37 249.358 5 ↓
Lo Low (pH 4.5-6) 0.83 4.13 -91.29 3 4 2 43 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3S)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3S)-4-methyl-3-(3-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 3.2 -33.5 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 0.98 1.95 -3.83 1 4 0 37 249.358 4 ↓
Lo Low (pH 4.5-6) 0.98 3.78 -89.51 3 4 2 43 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3S)-4-methyl-3-(3-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 3.28 -35.13 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 0.98 2.09 -4.11 1 4 0 37 249.358 4 ↓
Lo Low (pH 4.5-6) 0.98 3.74 -91.18 3 4 2 43 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3R)-4-methyl-3-(3-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 3.25 -35.13 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 0.98 2 -4.32 1 4 0 37 249.358 4 ↓
Lo Low (pH 4.5-6) 0.98 3.72 -92.07 3 4 2 43 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-4-methyl-3-(3-pyridyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3R)-4-methyl-3-(3-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 3.3 -33.48 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 0.98 2.12 -3.68 1 4 0 37 249.358 4 ↓
Lo Low (pH 4.5-6) 0.98 3.9 -88.56 3 4 2 43 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-4-ethyl-3-(3-pyridyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-4-ethyl-3-(3-pyridyl)…

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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) 0.68 2.59 -36.05 2 4 1 42 236.339 4 ↓
Hi High (pH 8-9.5) 0.68 1.16 -3.86 1 4 0 37 235.331 4 ↓
Lo Low (pH 4.5-6) 0.68 3.16 -90.96 3 4 2 43 237.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-4-ethyl-3-(3-pyridyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-4-ethyl-3-(3-pyridyl)…

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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) 0.68 2.69 -37.46 2 4 1 42 236.339 4 ↓
Hi High (pH 8-9.5) 0.68 1.19 -4.44 1 4 0 37 235.331 4 ↓
Lo Low (pH 4.5-6) 0.68 3.13 -92.8 3 4 2 43 237.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-4-propyl-3-(3-pyridyl)morpholin-2-yl]methanamine [(2R,3S)-4-propyl-3-(3-pyridyl)m…

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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) 0.20 1.45 -41.07 3 4 1 53 236.339 4 ↓
Hi High (pH 8-9.5) 0.20 1.08 -3.88 2 4 0 51 235.331 4 ↓
Lo Low (pH 4.5-6) 0.20 2.02 -96.16 4 4 2 54 237.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-propyl-3-(3-pyridyl)morpholin-2-yl]methanamine [(2S,3S)-4-propyl-3-(3-pyridyl)m…

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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) 0.20 1.57 -42.36 3 4 1 53 236.339 4 ↓
Hi High (pH 8-9.5) 0.20 1.1 -4.62 2 4 0 51 235.331 4 ↓
Lo Low (pH 4.5-6) 0.20 2.01 -97.89 4 4 2 54 237.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3S)-4-propyl-3-(3-pyridyl)morpholin-2-yl]methanamine N-methyl-1-[(2R,3S)-4-propyl-3-(…

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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) 1.19 3.34 -36.19 2 4 1 42 250.366 5 ↓
Hi High (pH 8-9.5) 1.19 1.91 -3.72 1 4 0 37 249.358 5 ↓
Lo Low (pH 4.5-6) 1.19 3.91 -91.49 3 4 2 43 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3S)-4-propyl-3-(3-pyridyl)morpholin-2-yl]methanamine N-methyl-1-[(2S,3S)-4-propyl-3-(…

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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) 1.19 3.44 -37.42 2 4 1 42 250.366 5 ↓
Hi High (pH 8-9.5) 1.19 1.95 -4.3 1 4 0 37 249.358 5 ↓
Lo Low (pH 4.5-6) 1.19 3.88 -93.25 3 4 2 43 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-4-isopropyl-3-(3-pyridyl)morpholin-2-yl]methanamine [(2R,3S)-4-isopropyl-3-(3-pyridy…

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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) 0.00 1.11 -40.71 3 4 1 53 236.339 3 ↓
Hi High (pH 8-9.5) 0.00 0.66 -3.98 2 4 0 51 235.331 3 ↓
Lo Low (pH 4.5-6) 0.00 1.72 -96.12 4 4 2 54 237.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-isopropyl-3-(3-pyridyl)morpholin-2-yl]methanamine [(2S,3S)-4-isopropyl-3-(3-pyridy…

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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) 0.00 1.07 -41.74 3 4 1 53 236.339 3 ↓
Hi High (pH 8-9.5) 0.00 0.69 -4.3 2 4 0 51 235.331 3 ↓
Lo Low (pH 4.5-6) 0.00 1.53 -97.41 4 4 2 54 237.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-4-isopropyl-3-(3-pyridyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-4-isopropyl-3-(3-pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 3 -35.95 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 0.98 1.57 -3.64 1 4 0 37 249.358 4 ↓
Lo Low (pH 4.5-6) 0.98 3.6 -91.54 3 4 2 43 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-4-isopropyl-3-(3-pyridyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-4-isopropyl-3-(3-pyri…

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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 2.94 -36.85 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 0.98 1.45 -4.18 1 4 0 37 249.358 4 ↓
Lo Low (pH 4.5-6) 0.98 3.4 -92.7 3 4 2 43 251.374 4 ↓

Parameters Provided:

ring.id = 25584
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 = 25584 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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