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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)-2,6-dimethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2S,6R)-2,6-dimethyl-4-[(4S)-1,2…

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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) 1.87 3.1 -3.23 1 3 0 24 246.354 1 ↓
Mid Mid (pH 6-8) 1.87 4.48 -44.29 2 3 1 29 247.362 1 ↓

Analogs

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Popular Name: (2S,6S)-2,6-dimethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2S,6S)-2,6-dimethyl-4-[(4S)-1,2…

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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) 1.87 3.38 -2.96 1 3 0 24 246.354 1 ↓
Mid Mid (pH 6-8) 1.87 4.77 -44.06 2 3 1 29 247.362 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2R,6R)-2,6-dimethyl-4-[(4S)-1,2…

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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) 1.87 3.38 -2.88 1 3 0 24 246.354 1 ↓
Mid Mid (pH 6-8) 1.87 4.77 -43.86 2 3 1 29 247.362 1 ↓

Analogs

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Popular Name: (2R)-2-methyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2R)-2-methyl-4-[(4S)-1,2,3,4-te…

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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) 1.51 2.35 -3.31 1 3 0 24 232.327 1 ↓
Mid Mid (pH 6-8) 1.51 3.73 -44.06 2 3 1 29 233.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2S)-2-methyl-4-[(4S)-1,2,3,4-te…

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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) 1.51 2.41 -3.26 1 3 0 24 232.327 1 ↓
Mid Mid (pH 6-8) 1.51 3.76 -44.06 2 3 1 29 233.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (3R)-3-methyl-4-[(4S)-1,2,3,4-te…

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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) 1.47 2.18 -3.13 1 3 0 24 232.327 1 ↓
Mid Mid (pH 6-8) 1.47 3.54 -43.68 2 3 1 29 233.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (3S)-3-methyl-4-[(4S)-1,2,3,4-te…

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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) 1.47 1.91 -2.95 1 3 0 24 232.327 1 ↓
Mid Mid (pH 6-8) 1.47 3.24 -44.27 2 3 1 29 233.335 1 ↓

Analogs

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Popular Name: (2R,5R)-2,5-dimethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2R,5R)-2,5-dimethyl-4-[(4S)-1,2…

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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) 1.84 2.47 -3.97 1 3 0 24 246.354 1 ↓
Mid Mid (pH 6-8) 1.84 3.84 -45.55 2 3 1 29 247.362 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-2,5-dimethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2S,5R)-2,5-dimethyl-4-[(4S)-1,2…

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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) 1.84 2.93 -3.12 1 3 0 24 246.354 1 ↓
Mid Mid (pH 6-8) 1.84 4.32 -43.94 2 3 1 29 247.362 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-ethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2R)-2-ethyl-4-[(4S)-1,2,3,4-tet…

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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) 2.01 3.19 -3.06 1 3 0 24 246.354 2 ↓
Mid Mid (pH 6-8) 2.01 4.57 -44.09 2 3 1 29 247.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-ethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2S)-2-ethyl-4-[(4S)-1,2,3,4-tet…

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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) 2.01 3.24 -3.1 1 3 0 24 246.354 2 ↓
Mid Mid (pH 6-8) 2.01 4.59 -44.1 2 3 1 29 247.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine 2,2-dimethyl-4-[(4S)-1,2,3,4-tet…

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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) 1.95 3.33 -3.01 1 3 0 24 246.354 1 ↓
Mid Mid (pH 6-8) 1.95 4.67 -43.86 2 3 1 29 247.362 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-4-[(4R)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine 2,2-dimethyl-4-[(4R)-1,2,3,4-tet…

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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) 1.95 3.32 -2.63 1 3 0 24 246.354 1 ↓
Mid Mid (pH 6-8) 1.95 4.66 -43.98 2 3 1 29 247.362 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (3R)-3-ethyl-4-[(4S)-1,2,3,4-tet…

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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) 2.01 2.83 -2.92 1 3 0 24 246.354 2 ↓
Mid Mid (pH 6-8) 2.01 4.18 -43.82 2 3 1 29 247.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (3S)-3-ethyl-4-[(4S)-1,2,3,4-tet…

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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) 2.01 2.55 -2.93 1 3 0 24 246.354 2 ↓
Mid Mid (pH 6-8) 2.01 3.89 -44.51 2 3 1 29 247.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-ethyl-2-methyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2R,5R)-5-ethyl-2-methyl-4-[(4S)…

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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) 2.37 3.85 -2.58 1 3 0 24 260.381 2 ↓
Mid Mid (pH 6-8) 2.37 5.19 -43.7 2 3 1 29 261.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-ethyl-2-methyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2R,5S)-5-ethyl-2-methyl-4-[(4S)…

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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) 2.37 3.3 -2.84 1 3 0 24 260.381 2 ↓
Mid Mid (pH 6-8) 2.37 4.64 -44.79 2 3 1 29 261.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-5-ethyl-2-methyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2S,5R)-5-ethyl-2-methyl-4-[(4S)…

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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) 2.37 3.58 -2.95 1 3 0 24 260.381 2 ↓
Mid Mid (pH 6-8) 2.37 4.93 -44.04 2 3 1 29 261.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-5-ethyl-2-methyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (2S,5S)-5-ethyl-2-methyl-4-[(4S)…

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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) 2.37 3.57 -2.59 1 3 0 24 260.381 2 ↓
Mid Mid (pH 6-8) 2.37 4.9 -44.54 2 3 1 29 261.389 2 ↓

Analogs

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Popular Name: 3,3-dimethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine 3,3-dimethyl-4-[(4S)-1,2,3,4-tet…

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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) 1.95 1.34 -3.93 1 3 0 24 246.354 1 ↓
Mid Mid (pH 6-8) 1.95 2.74 -43.51 2 3 1 29 247.362 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-4-[(4R)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine 3,3-dimethyl-4-[(4R)-1,2,3,4-tet…

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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) 1.95 2.57 -2.54 1 3 0 24 246.354 1 ↓
Mid Mid (pH 6-8) 1.95 3.95 -43.98 2 3 1 29 247.362 1 ↓

Analogs

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Popular Name: (6R)-2,2,6-trimethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (6R)-2,2,6-trimethyl-4-[(4S)-1,2…

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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) 2.31 4.05 -2.98 1 3 0 24 260.381 1 ↓
Mid Mid (pH 6-8) 2.31 5.38 -44 2 3 1 29 261.389 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2,2,6-trimethyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (6S)-2,2,6-trimethyl-4-[(4S)-1,2…

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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) 2.31 4 -3 1 3 0 24 260.381 1 ↓
Mid Mid (pH 6-8) 2.31 5.41 -44.25 2 3 1 29 261.389 1 ↓

Parameters Provided:

ring.id = 23563
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 = 23563 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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