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Analogs

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Popular Name: (R)-pyrazin-2-yl(tetrahydropyran-4-yl)methanol (R)-pyrazin-2-yl(tetrahydropyran…

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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) 0.42 -0.27 -5.64 1 4 0 55 194.234 2 ↓

Analogs

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Popular Name: (S)-pyrazin-2-yl(tetrahydropyran-4-yl)methanol (S)-pyrazin-2-yl(tetrahydropyran…

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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) 0.42 0.58 -6.01 1 4 0 55 194.234 2 ↓

Analogs

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Popular Name: (R)-pyrazin-2-yl(tetrahydropyran-4-yl)methanamine (R)-pyrazin-2-yl(tetrahydropyran…

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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) -1.28 0.29 -46.8 3 4 1 63 194.258 2 ↓
Mid Mid (pH 6-8) -1.28 0.01 -4.67 2 4 0 61 193.25 2 ↓

Analogs

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Popular Name: (S)-pyrazin-2-yl(tetrahydropyran-4-yl)methanamine (S)-pyrazin-2-yl(tetrahydropyran…

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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) -1.28 1.08 -51.53 3 4 1 63 194.258 2 ↓
Mid Mid (pH 6-8) -1.28 0.84 -5.53 2 4 0 61 193.25 2 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-pyrazin-2-yl-1-tetrahydropyran-4-yl-methanamine (1R)-N-methyl-1-pyrazin-2-yl-1-t…

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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) 0.97 1.97 -41.42 2 4 1 52 208.285 3 ↓
Mid Mid (pH 6-8) 0.97 1.01 -5.32 1 4 0 47 207.277 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-pyrazin-2-yl-1-tetrahydropyran-4-yl-methanamine (1S)-N-methyl-1-pyrazin-2-yl-1-t…

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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) 0.97 2.73 -46.33 2 4 1 52 208.285 3 ↓
Mid Mid (pH 6-8) 0.97 1.81 -5.31 1 4 0 47 207.277 3 ↓

Analogs

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Popular Name: N-[(R)-pyrazin-2-yl(tetrahydropyran-4-yl)methyl]ethanamine N-[(R)-pyrazin-2-yl(tetrahydropy…

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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) 1.35 2.81 -39.78 2 4 1 52 222.312 4 ↓
Hi High (pH 8-9.5) 1.35 1.88 -5.26 1 4 0 47 221.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-pyrazin-2-yl(tetrahydropyran-4-yl)methyl]ethanamine N-[(S)-pyrazin-2-yl(tetrahydropy…

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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) 1.35 3.54 -44.16 2 4 1 52 222.312 4 ↓
Hi High (pH 8-9.5) 1.35 2.71 -5.07 1 4 0 47 221.304 4 ↓

Parameters Provided:

ring.id = 262621
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 = 262621 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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