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

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-3-benzyl-5-methyl-morpholine (3S,5R)-3-benzyl-5-methyl-morpho…

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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) 2.06 5.27 -34.8 2 2 1 26 192.282 2 ↓
Hi High (pH 8-9.5) 2.06 4.07 -2.93 1 2 0 21 191.274 2 ↓

Analogs

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Popular Name: (3S,5S)-3-benzyl-5-methyl-morpholine (3S,5S)-3-benzyl-5-methyl-morpho…

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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) 2.06 5.15 -36.01 2 2 1 26 192.282 2 ↓
Hi High (pH 8-9.5) 2.06 3.95 -2.62 1 2 0 21 191.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-benzyl-5-methyl-morpholine (3R,5R)-3-benzyl-5-methyl-morpho…

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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) 2.06 5.15 -36.04 2 2 1 26 192.282 2 ↓
Hi High (pH 8-9.5) 2.06 4.09 -3.36 1 2 0 21 191.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-benzyl-5-methyl-morpholine (3R,5S)-3-benzyl-5-methyl-morpho…

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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) 2.06 5.27 -34.79 2 2 1 26 192.282 2 ↓
Hi High (pH 8-9.5) 2.06 4.22 -3.52 1 2 0 21 191.274 2 ↓

Analogs

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Popular Name: (3S)-3-[(4-methoxyphenyl)methyl]morpholine (3S)-3-[(4-methoxyphenyl)methyl]…

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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) 1.79 3.88 -40.4 2 3 1 35 208.281 3 ↓
Hi High (pH 8-9.5) 1.79 2.74 -5.45 1 3 0 30 207.273 3 ↓

Analogs

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Popular Name: (3R)-3-[(4-chlorophenyl)methyl]morpholine (3R)-3-[(4-chlorophenyl)methyl]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) 2.41 5.1 -40.98 2 2 1 26 212.7 2 ↓
Hi High (pH 8-9.5) 2.41 3.81 -3.34 1 2 0 21 211.692 2 ↓

Analogs

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Popular Name: (3S)-3-[(4-chlorophenyl)methyl]morpholine (3S)-3-[(4-chlorophenyl)methyl]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) 2.41 5.1 -40.95 2 2 1 26 212.7 2 ↓
Hi High (pH 8-9.5) 2.41 3.96 -4.12 1 2 0 21 211.692 2 ↓

Analogs

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Popular Name: (3R)-3-[(2-nitrophenyl)methyl]morpholine (3R)-3-[(2-nitrophenyl)methyl]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) 1.65 4.91 -46.68 2 5 1 72 223.252 3 ↓
Hi High (pH 8-9.5) 1.65 3.62 -8.85 1 5 0 67 222.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2-nitrophenyl)methyl]morpholine (3S)-3-[(2-nitrophenyl)methyl]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) 1.65 4.88 -46.06 2 5 1 72 223.252 3 ↓
Hi High (pH 8-9.5) 1.65 3.69 -9.68 1 5 0 67 222.244 3 ↓

Analogs

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Popular Name: (3S)-3-[(3-bromophenyl)methyl]morpholine (3S)-3-[(3-bromophenyl)methyl]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) 2.52 5.19 -41.18 2 2 1 26 257.151 2 ↓
Hi High (pH 8-9.5) 2.52 4.05 -4.22 1 2 0 21 256.143 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-bromophenyl)methyl]morpholine (3R)-3-[(4-bromophenyl)methyl]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) 2.54 5.2 -41.05 2 2 1 26 257.151 2 ↓
Hi High (pH 8-9.5) 2.54 3.91 -3.22 1 2 0 21 256.143 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(4-bromophenyl)methyl]morpholine (3S)-3-[(4-bromophenyl)methyl]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) 2.54 5.2 -41.05 2 2 1 26 257.151 2 ↓
Hi High (pH 8-9.5) 2.54 4.06 -4.1 1 2 0 21 256.143 2 ↓

Analogs

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Popular Name: (2S,5R)-5-benzyl-2-(trifluoromethyl)morpholine (2S,5R)-5-benzyl-2-(trifluoromet…

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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) 2.65 4.34 -4.6 1 2 0 21 245.244 3 ↓
Mid Mid (pH 6-8) 2.65 5.43 -43.73 2 2 1 26 246.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-5-benzyl-2-(trifluoromethyl)morpholine (2S,5S)-5-benzyl-2-(trifluoromet…

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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) 2.65 4.59 -5.22 1 2 0 21 245.244 3 ↓
Mid Mid (pH 6-8) 2.65 5.71 -44.65 2 2 1 26 246.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-benzyl-2-(trifluoromethyl)morpholine (2R,5R)-5-benzyl-2-(trifluoromet…

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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) 2.65 4.43 -3.76 1 2 0 21 245.244 3 ↓
Mid Mid (pH 6-8) 2.65 5.71 -44.65 2 2 1 26 246.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-benzyl-2-(trifluoromethyl)morpholine (2R,5S)-5-benzyl-2-(trifluoromet…

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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) 2.65 4.21 -3.49 1 2 0 21 245.244 3 ↓
Mid Mid (pH 6-8) 2.65 5.43 -43.72 2 2 1 26 246.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-5-benzyl-2-(methoxymethyl)morpholine (2S,5R)-5-benzyl-2-(methoxymethy…

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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) 1.71 4.3 -40.25 2 3 1 35 222.308 4 ↓
Hi High (pH 8-9.5) 1.71 3.07 -4.55 1 3 0 30 221.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-benzyl-2-(methoxymethyl)morpholine (2R,5R)-5-benzyl-2-(methoxymethy…

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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) 1.71 4.59 -40.62 2 3 1 35 222.308 4 ↓
Hi High (pH 8-9.5) 1.71 3.45 -5.38 1 3 0 30 221.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-5-benzyl-2-(methoxymethyl)morpholine (2S,5S)-5-benzyl-2-(methoxymethy…

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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) 1.71 4.59 -40.59 2 3 1 35 222.308 4 ↓
Hi High (pH 8-9.5) 1.71 3.29 -4.8 1 3 0 30 221.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-benzyl-2-(methoxymethyl)morpholine (2R,5S)-5-benzyl-2-(methoxymethy…

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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) 1.71 4.31 -40.26 2 3 1 35 222.308 4 ↓
Hi High (pH 8-9.5) 1.71 3.2 -4.86 1 3 0 30 221.3 4 ↓

Analogs

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Popular Name: (2S,5R)-5-benzyl-2-(isopropoxymethyl)morpholine (2S,5R)-5-benzyl-2-(isopropoxyme…

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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) 2.44 6.01 -40 2 3 1 35 250.362 5 ↓
Hi High (pH 8-9.5) 2.44 4.78 -4.46 1 3 0 30 249.354 5 ↓

Analogs

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Popular Name: (2R,5R)-5-benzyl-2-(isopropoxymethyl)morpholine (2R,5R)-5-benzyl-2-(isopropoxyme…

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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) 2.44 6.31 -40.48 2 3 1 35 250.362 5 ↓
Hi High (pH 8-9.5) 2.44 5.17 -5.13 1 3 0 30 249.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-5-benzyl-2-(isopropoxymethyl)morpholine (2S,5S)-5-benzyl-2-(isopropoxyme…

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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) 2.44 6.31 -40.33 2 3 1 35 250.362 5 ↓
Hi High (pH 8-9.5) 2.44 5.01 -4.7 1 3 0 30 249.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-benzyl-2-(isopropoxymethyl)morpholine (2R,5S)-5-benzyl-2-(isopropoxyme…

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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) 2.44 6.03 -40.1 2 3 1 35 250.362 5 ↓
Hi High (pH 8-9.5) 2.44 4.92 -4.61 1 3 0 30 249.354 5 ↓

Parameters Provided:

ring.id = 27246
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 = 27246 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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