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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-3-(Pyridin-2-yl)morpholine (R)-3-(Pyridin-2-yl)morpholine

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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) 0.36 2.22 -33.17 2 3 1 39 165.216 1 ↓
Mid Mid (pH 6-8) 0.36 1.08 -5.26 1 3 0 34 164.208 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-3-(Pyridin-2-yl)morpholine (S)-3-(Pyridin-2-yl)morpholine

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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) 0.36 2.22 -33.19 2 3 1 39 165.216 1 ↓
Mid Mid (pH 6-8) 0.36 0.69 -4.49 1 3 0 34 164.208 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-4-methyl-3-(2-pyridyl)morpholin-2-yl]methanamine [(2R,3S)-4-methyl-3-(2-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) -0.61 0.63 -38.4 3 4 1 53 208.285 2 ↓
Hi High (pH 8-9.5) -0.61 0.16 -4.59 2 4 0 51 207.277 2 ↓
Lo Low (pH 4.5-6) -0.61 0.52 -94.01 4 4 2 54 209.293 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-methyl-3-(2-pyridyl)morpholin-2-yl]methanamine [(2S,3S)-4-methyl-3-(2-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) -0.61 -0.35 -38.72 3 4 1 53 208.285 2 ↓
Hi High (pH 8-9.5) -0.61 -0.71 -5.68 2 4 0 51 207.277 2 ↓
Lo Low (pH 4.5-6) -0.61 0.64 -96.04 4 4 2 54 209.293 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3S)-4-methyl-3-(2-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) 0.37 2.5 -33.82 2 4 1 42 222.312 3 ↓
Hi High (pH 8-9.5) 0.37 1 -4.49 1 4 0 37 221.304 3 ↓
Lo Low (pH 4.5-6) 0.37 2.4 -89.34 3 4 2 43 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3S)-4-methyl-3-(2-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) 0.37 1.52 -34 2 4 1 42 222.312 3 ↓
Hi High (pH 8-9.5) 0.37 0.09 -5.34 1 4 0 37 221.304 3 ↓
Lo Low (pH 4.5-6) 0.37 2.5 -91.18 3 4 2 43 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3R)-4-methyl-3-(2-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) 0.37 1.5 -34.15 2 4 1 42 222.312 3 ↓
Hi High (pH 8-9.5) 0.37 0.01 -5.44 1 4 0 37 221.304 3 ↓
Lo Low (pH 4.5-6) 0.37 2.5 -91.45 3 4 2 43 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3R)-4-methyl-3-(2-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) 0.37 2.52 -33.76 2 4 1 42 222.312 3 ↓
Hi High (pH 8-9.5) 0.37 1.07 -4.22 1 4 0 37 221.304 3 ↓
Lo Low (pH 4.5-6) 0.37 2.51 -88.98 3 4 2 43 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-4-ethyl-3-(2-pyridyl)morpholin-2-yl]methanamine [(2R,3S)-4-ethyl-3-(2-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) -0.23 1.35 -38.36 3 4 1 53 222.312 3 ↓
Hi High (pH 8-9.5) -0.23 0.98 -4.02 2 4 0 51 221.304 3 ↓
Lo Low (pH 4.5-6) -0.23 1.25 -94.69 4 4 2 54 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-ethyl-3-(2-pyridyl)morpholin-2-yl]methanamine [(2S,3S)-4-ethyl-3-(2-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) -0.23 0.4 -38.62 3 4 1 53 222.312 3 ↓
Hi High (pH 8-9.5) -0.23 -0.07 -5.47 2 4 0 51 221.304 3 ↓
Lo Low (pH 4.5-6) -0.23 1.37 -96.65 4 4 2 54 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3S)-4-methyl-3-(2-pyridyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3S)-4-methyl-3-(2-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) 1.04 3.88 -31.16 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 1.04 2.63 -4.02 1 4 0 37 249.358 4 ↓
Lo Low (pH 4.5-6) 1.04 3.77 -88.03 3 4 2 43 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-4-methyl-3-(2-pyridyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3S)-4-methyl-3-(2-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) 1.04 2.9 -31.5 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 1.04 1.72 -4.97 1 4 0 37 249.358 4 ↓
Lo Low (pH 4.5-6) 1.04 3.88 -90.65 3 4 2 43 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-4-methyl-3-(2-pyridyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3R)-4-methyl-3-(2-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) 1.04 2.87 -31.69 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 1.04 1.64 -5.02 1 4 0 37 249.358 4 ↓
Lo Low (pH 4.5-6) 1.04 3.88 -90.21 3 4 2 43 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-4-methyl-3-(2-pyridyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3R)-4-methyl-3-(2-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) 1.04 3.88 -31.2 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 1.04 2.71 -3.81 1 4 0 37 249.358 4 ↓
Lo Low (pH 4.5-6) 1.04 3.87 -88.28 3 4 2 43 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-4-ethyl-3-(2-pyridyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-4-ethyl-3-(2-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) 0.75 3.23 -33.74 2 4 1 42 236.339 4 ↓
Hi High (pH 8-9.5) 0.75 1.79 -3.94 1 4 0 37 235.331 4 ↓
Mid Mid (pH 6-8) 0.75 3.13 -90.02 3 4 2 43 237.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-4-ethyl-3-(2-pyridyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-4-ethyl-3-(2-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) 0.75 2.27 -33.85 2 4 1 42 236.339 4 ↓
Hi High (pH 8-9.5) 0.75 0.78 -5.18 1 4 0 37 235.331 4 ↓
Mid Mid (pH 6-8) 0.75 3.25 -91.78 3 4 2 43 237.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-4-propyl-3-(2-pyridyl)morpholin-2-yl]methanamine [(2R,3S)-4-propyl-3-(2-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) 0.27 2.11 -38.37 3 4 1 53 236.339 4 ↓
Hi High (pH 8-9.5) 0.27 1.74 -3.9 2 4 0 51 235.331 4 ↓
Lo Low (pH 4.5-6) 0.27 2 -95.34 4 4 2 54 237.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-propyl-3-(2-pyridyl)morpholin-2-yl]methanamine [(2S,3S)-4-propyl-3-(2-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) 0.27 1.15 -38.54 3 4 1 53 236.339 4 ↓
Hi High (pH 8-9.5) 0.27 0.68 -5.36 2 4 0 51 235.331 4 ↓
Lo Low (pH 4.5-6) 0.27 2.13 -97.11 4 4 2 54 237.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3S)-4-propyl-3-(2-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) 1.25 3.98 -33.75 2 4 1 42 250.366 5 ↓
Hi High (pH 8-9.5) 1.25 2.54 -3.79 1 4 0 37 249.358 5 ↓
Mid Mid (pH 6-8) 1.25 3.89 -90.65 3 4 2 43 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3S)-4-propyl-3-(2-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) 1.25 3.03 -33.8 2 4 1 42 250.366 5 ↓
Hi High (pH 8-9.5) 1.25 1.54 -5 1 4 0 37 249.358 5 ↓
Mid Mid (pH 6-8) 1.25 4 -92.26 3 4 2 43 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-4-isopropyl-3-(2-pyridyl)morpholin-2-yl]methanamine [(2R,3S)-4-isopropyl-3-(2-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) 0.06 1.61 -38.19 3 4 1 53 236.339 3 ↓
Hi High (pH 8-9.5) 0.06 1.24 -3.83 2 4 0 51 235.331 3 ↓
Mid Mid (pH 6-8) 0.06 1.62 -95.21 4 4 2 54 237.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-isopropyl-3-(2-pyridyl)morpholin-2-yl]methanamine [(2S,3S)-4-isopropyl-3-(2-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) 0.06 1.24 -42.03 3 4 1 53 236.339 3 ↓
Hi High (pH 8-9.5) 0.06 0.77 -5.29 2 4 0 51 235.331 3 ↓
Mid Mid (pH 6-8) 0.06 1.67 -96.85 4 4 2 54 237.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-4-isopropyl-3-(2-pyridyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-4-isopropyl-3-(2-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) 1.04 3.53 -33.54 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 1.04 2.07 -3.74 1 4 0 37 249.358 4 ↓
Mid Mid (pH 6-8) 1.04 3.5 -90.5 3 4 2 43 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-4-isopropyl-3-(2-pyridyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-4-isopropyl-3-(2-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) 1.04 2.65 -33.86 2 4 1 42 250.366 4 ↓
Hi High (pH 8-9.5) 1.04 1.62 -4.85 1 4 0 37 249.358 4 ↓
Mid Mid (pH 6-8) 1.04 3.55 -91.99 3 4 2 43 251.374 4 ↓

Parameters Provided:

ring.id = 25051
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 = 25051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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