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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[3-(morpholinomethyl)phenyl]methyl]cyclopropanamine N-[[3-(morpholinomethyl)phenyl]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) 1.49 5.06 -38.83 2 3 1 29 247.362 5 ↓
Lo Low (pH 4.5-6) 1.49 7.32 -93.71 3 3 2 30 248.37 5 ↓

Analogs

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Popular Name: N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2S,6R)-2,6-dimethylmorp…

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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) 2.21 6.54 -39.68 2 3 1 29 275.416 5 ↓
Lo Low (pH 4.5-6) 2.21 8.82 -95.57 3 3 2 30 276.424 5 ↓

Analogs

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Popular Name: N-[[3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2S,6S)-2,6-dimethylmorp…

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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) 2.21 6.83 -39.31 2 3 1 29 275.416 5 ↓
Lo Low (pH 4.5-6) 2.21 8.78 -95.05 3 3 2 30 276.424 5 ↓

Analogs

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Popular Name: N-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2R,6R)-2,6-dimethylmorp…

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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) 2.21 6.83 -38.79 2 3 1 29 275.416 5 ↓
Lo Low (pH 4.5-6) 2.21 8.8 -94.91 3 3 2 30 276.424 5 ↓

Analogs

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Popular Name: N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2R)-2-methylmorpholin-4…

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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) 1.85 5.81 -38.84 2 3 1 29 261.389 5 ↓
Lo Low (pH 4.5-6) 1.85 8.08 -94.5 3 3 2 30 262.397 5 ↓

Analogs

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Popular Name: N-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2S)-2-methylmorpholin-4…

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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) 1.85 5.79 -37.65 2 3 1 29 261.389 5 ↓
Lo Low (pH 4.5-6) 1.85 8.07 -94.45 3 3 2 30 262.397 5 ↓

Analogs

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Popular Name: N-[[3-[[(3R)-3-methylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(3R)-3-methylmorpholin-4…

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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) 1.82 5.66 -38.6 2 3 1 29 261.389 5 ↓
Lo Low (pH 4.5-6) 1.82 7.84 -92.29 3 3 2 30 262.397 5 ↓

Analogs

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Popular Name: N-[[3-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(3S)-3-methylmorpholin-4…

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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) 1.82 5.65 -37.73 2 3 1 29 261.389 5 ↓
Lo Low (pH 4.5-6) 1.82 7.83 -91.36 3 3 2 30 262.397 5 ↓

Analogs

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Popular Name: N-[[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2R,5R)-2,5-dimethylmorp…

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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) 2.18 6.24 -37.3 2 3 1 29 275.416 5 ↓
Lo Low (pH 4.5-6) 2.18 8.41 -93.79 3 3 2 30 276.424 5 ↓

Analogs

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Popular Name: N-[[3-[[(2S,5R)-2,5-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2S,5R)-2,5-dimethylmorp…

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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) 2.18 6.4 -39.49 2 3 1 29 275.416 5 ↓
Lo Low (pH 4.5-6) 2.18 8.6 -93.2 3 3 2 30 276.424 5 ↓

Analogs

36769941
36769941

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Popular Name: N-[[3-[[(2R)-2-ethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2R)-2-ethylmorpholin-4-…

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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) 2.35 6.64 -38.62 2 3 1 29 275.416 6 ↓
Lo Low (pH 4.5-6) 2.35 8.9 -95.24 3 3 2 30 276.424 6 ↓

Analogs

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Popular Name: N-[[3-[[(2S)-2-ethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2S)-2-ethylmorpholin-4-…

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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) 2.35 6.63 -37.46 2 3 1 29 275.416 6 ↓
Lo Low (pH 4.5-6) 2.35 8.89 -95.25 3 3 2 30 276.424 6 ↓

Analogs

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Popular Name: N-[[3-[[(3R)-3-ethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(3R)-3-ethylmorpholin-4-…

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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) 2.35 6.32 -38.46 2 3 1 29 275.416 6 ↓
Lo Low (pH 4.5-6) 2.35 8.46 -93.28 3 3 2 30 276.424 6 ↓

Analogs

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Popular Name: N-[[3-[[(3S)-3-ethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(3S)-3-ethylmorpholin-4-…

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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) 2.35 6.32 -37.77 2 3 1 29 275.416 6 ↓
Lo Low (pH 4.5-6) 2.35 8.46 -92.43 3 3 2 30 276.424 6 ↓

Analogs

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Popular Name: N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine N-[[3-[(2,2-dimethylmorpholin-4-…

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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) 2.30 6.72 -38.51 2 3 1 29 275.416 5 ↓
Lo Low (pH 4.5-6) 2.30 8.68 -94.74 3 3 2 30 276.424 5 ↓

Analogs

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Popular Name: N-[[3-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(6R)-2,2,6-trimethylmorp…

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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) 2.66 7.44 -38.1 2 3 1 29 289.443 5 ↓
Lo Low (pH 4.5-6) 2.66 9.41 -95.16 3 3 2 30 290.451 5 ↓

Analogs

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Popular Name: N-[[3-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(6S)-2,2,6-trimethylmorp…

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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) 2.66 7.44 -39.31 2 3 1 29 289.443 5 ↓
Lo Low (pH 4.5-6) 2.66 9.42 -95.79 3 3 2 30 290.451 5 ↓

Analogs

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Popular Name: N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine N-[[3-[(3,3-dimethylmorpholin-4-…

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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) 2.30 6.03 -37.25 2 3 1 29 275.416 5 ↓
Lo Low (pH 4.5-6) 2.30 8.13 -90.81 3 3 2 30 276.424 5 ↓

Analogs

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Popular Name: N-[[3-[[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2R,5R)-5-ethyl-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) 2.72 7.34 -38.5 2 3 1 29 289.443 6 ↓
Lo Low (pH 4.5-6) 2.72 9.18 -93.8 3 3 2 30 290.451 6 ↓

Analogs

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Popular Name: N-[[3-[[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2R,5S)-5-ethyl-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) 2.72 7.07 -37.9 2 3 1 29 289.443 6 ↓
Lo Low (pH 4.5-6) 2.72 9.21 -93.09 3 3 2 30 290.451 6 ↓

Analogs

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Popular Name: N-[[3-[[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2S,5R)-5-ethyl-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) 2.72 7.07 -39.3 2 3 1 29 289.443 6 ↓
Lo Low (pH 4.5-6) 2.72 9.22 -94.14 3 3 2 30 290.451 6 ↓

Analogs

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Popular Name: N-[[3-[[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[(2S,5S)-5-ethyl-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) 2.72 7.33 -38.12 2 3 1 29 289.443 6 ↓
Lo Low (pH 4.5-6) 2.72 9.19 -92.35 3 3 2 30 290.451 6 ↓

Parameters Provided:

ring.id = 225075
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 = 225075 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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