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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: (2S,6R)-4-(azetidin-3-yl)-2,6-dimethyl-morpholine (2S,6R)-4-(azetidin-3-yl)-2,6-di…

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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) 0.55 0.72 -40.01 2 3 1 29 171.264 1 ↓
Mid Mid (pH 6-8) 0.55 -0.95 -2.57 1 3 0 24 170.256 1 ↓

Analogs

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Popular Name: (2S,6S)-4-(azetidin-3-yl)-2,6-dimethyl-morpholine (2S,6S)-4-(azetidin-3-yl)-2,6-di…

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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) 0.55 0.98 -40.01 2 3 1 29 171.264 1 ↓
Mid Mid (pH 6-8) 0.55 -0.7 -2.31 1 3 0 24 170.256 1 ↓

Analogs

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Popular Name: (2R,6R)-4-(azetidin-3-yl)-2,6-dimethyl-morpholine (2R,6R)-4-(azetidin-3-yl)-2,6-di…

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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) 0.55 1.01 -40 2 3 1 29 171.264 1 ↓
Mid Mid (pH 6-8) 0.55 -0.66 -2.29 1 3 0 24 170.256 1 ↓

Analogs

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Popular Name: (2R)-4-(azetidin-3-yl)-2-methyl-morpholine (2R)-4-(azetidin-3-yl)-2-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) 0.18 -0.03 -39.67 2 3 1 29 157.237 1 ↓
Mid Mid (pH 6-8) 0.18 -1.7 -2.54 1 3 0 24 156.229 1 ↓

Analogs

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Popular Name: (2S)-4-(azetidin-3-yl)-2-methyl-morpholine (2S)-4-(azetidin-3-yl)-2-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) 0.18 -0.04 -39.68 2 3 1 29 157.237 1 ↓
Mid Mid (pH 6-8) 0.18 -1.73 -2.58 1 3 0 24 156.229 1 ↓

Analogs

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Popular Name: (3R)-4-(azetidin-3-yl)-3-methyl-morpholine (3R)-4-(azetidin-3-yl)-3-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) 0.15 -0.49 -39.47 2 3 1 29 157.237 1 ↓
Mid Mid (pH 6-8) 0.15 -2.15 -2.38 1 3 0 24 156.229 1 ↓

Analogs

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Popular Name: (3S)-4-(azetidin-3-yl)-3-methyl-morpholine (3S)-4-(azetidin-3-yl)-3-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) 0.15 -0.41 -39.79 2 3 1 29 157.237 1 ↓
Mid Mid (pH 6-8) 0.15 -2.09 -2.55 1 3 0 24 156.229 1 ↓

Analogs

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Popular Name: (2R,5R)-4-(azetidin-3-yl)-2,5-dimethyl-morpholine (2R,5R)-4-(azetidin-3-yl)-2,5-di…

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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) 0.52 0.39 -39.77 2 3 1 29 171.264 1 ↓
Mid Mid (pH 6-8) 0.52 -1.28 -2.19 1 3 0 24 170.256 1 ↓

Analogs

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Popular Name: (2S,5R)-4-(azetidin-3-yl)-2,5-dimethyl-morpholine (2S,5R)-4-(azetidin-3-yl)-2,5-di…

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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) 0.52 0.26 -39.86 2 3 1 29 171.264 1 ↓
Mid Mid (pH 6-8) 0.52 -1.41 -2.32 1 3 0 24 170.256 1 ↓

Analogs

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Popular Name: (2R)-4-(azetidin-3-yl)-2-ethyl-morpholine (2R)-4-(azetidin-3-yl)-2-ethyl-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) 0.69 0.81 -39.64 2 3 1 29 171.264 2 ↓
Mid Mid (pH 6-8) 0.69 -0.86 -2.37 1 3 0 24 170.256 2 ↓

Analogs

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Popular Name: (2S)-4-(azetidin-3-yl)-2-ethyl-morpholine (2S)-4-(azetidin-3-yl)-2-ethyl-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) 0.69 0.78 -39.57 2 3 1 29 171.264 2 ↓
Mid Mid (pH 6-8) 0.69 -0.91 -2.4 1 3 0 24 170.256 2 ↓

Analogs

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Popular Name: 4-(Azetidin-3-yl)-2,2-dimethylmorpholine 4-(Azetidin-3-yl)-2,2-dimethylmo…

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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) 0.63 0.87 -40.04 2 3 1 29 171.264 1 ↓
Mid Mid (pH 6-8) 0.63 -0.81 -2.38 1 3 0 24 170.256 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(azetidin-3-yl)-3-ethyl-morpholine (3R)-4-(azetidin-3-yl)-3-ethyl-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) 0.69 0.15 -39.78 2 3 1 29 171.264 2 ↓
Mid Mid (pH 6-8) 0.69 -1.52 -2.22 1 3 0 24 170.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(azetidin-3-yl)-3-ethyl-morpholine (3S)-4-(azetidin-3-yl)-3-ethyl-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) 0.69 0.21 -40.15 2 3 1 29 171.264 2 ↓
Mid Mid (pH 6-8) 0.69 -1.46 -2.37 1 3 0 24 170.256 2 ↓

Analogs

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Popular Name: (2R,5R)-4-(azetidin-3-yl)-5-ethyl-2-methyl-morpholine (2R,5R)-4-(azetidin-3-yl)-5-ethy…

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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) 1.05 1.15 -40.05 2 3 1 29 185.291 2 ↓
Hi High (pH 8-9.5) 1.05 -0.52 -1.93 1 3 0 24 184.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-4-(azetidin-3-yl)-5-ethyl-2-methyl-morpholine (2R,5S)-4-(azetidin-3-yl)-5-ethy…

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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) 1.05 0.95 -40.53 2 3 1 29 185.291 2 ↓
Hi High (pH 8-9.5) 1.05 -0.73 -2.4 1 3 0 24 184.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-4-(azetidin-3-yl)-5-ethyl-2-methyl-morpholine (2S,5R)-4-(azetidin-3-yl)-5-ethy…

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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) 1.05 0.89 -40.14 2 3 1 29 185.291 2 ↓
Hi High (pH 8-9.5) 1.05 -0.78 -2.23 1 3 0 24 184.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-4-(azetidin-3-yl)-5-ethyl-2-methyl-morpholine (2S,5S)-4-(azetidin-3-yl)-5-ethy…

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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) 1.05 1.23 -40.57 2 3 1 29 185.291 2 ↓
Hi High (pH 8-9.5) 1.05 -0.46 -2.16 1 3 0 24 184.283 2 ↓

Analogs

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Popular Name: 4-(azetidin-3-yl)-3,3-dimethyl-morpholine 4-(azetidin-3-yl)-3,3-dimethyl-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) 0.63 -0.23 -39.7 2 3 1 29 171.264 1 ↓
Mid Mid (pH 6-8) 0.63 -1.89 -2.07 1 3 0 24 170.256 1 ↓

Analogs

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Popular Name: (6R)-4-(azetidin-3-yl)-2,2,6-trimethyl-morpholine (6R)-4-(azetidin-3-yl)-2,2,6-tri…

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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) 1.00 1.61 -40.36 2 3 1 29 185.291 1 ↓
Mid Mid (pH 6-8) 1.00 -0.06 -2.38 1 3 0 24 184.283 1 ↓

Analogs

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Popular Name: (6S)-4-(azetidin-3-yl)-2,2,6-trimethyl-morpholine (6S)-4-(azetidin-3-yl)-2,2,6-tri…

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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) 1.00 1.61 -40.49 2 3 1 29 185.291 1 ↓
Mid Mid (pH 6-8) 1.00 -0.05 -2.41 1 3 0 24 184.283 1 ↓

Parameters Provided:

ring.id = 370842
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 = 370842 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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