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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: [3-[(3S)-1-benzylpyrrolidin-3-yl]oxypyrazin-2-yl]methanamine [3-[(3S)-1-benzylpyrrolidin-3-yl…

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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) 1.38 3.87 -100.33 4 5 2 67 286.379 5 ↓
Hi High (pH 8-9.5) 1.38 1.03 -6.81 2 5 0 64 284.363 5 ↓
Mid Mid (pH 6-8) 1.38 1.43 -40.83 3 5 1 66 285.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(3R)-1-benzylpyrrolidin-3-yl]oxypyrazin-2-yl]methanamine [3-[(3R)-1-benzylpyrrolidin-3-yl…

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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) 1.38 3.82 -101.2 4 5 2 67 286.379 5 ↓
Hi High (pH 8-9.5) 1.38 0.97 -6.29 2 5 0 64 284.363 5 ↓
Mid Mid (pH 6-8) 1.38 1.38 -43.15 3 5 1 66 285.371 5 ↓

Analogs

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Popular Name: 2-[(3S)-1-benzylpyrrolidin-3-yl]oxy-6-chloro-pyrazine 2-[(3S)-1-benzylpyrrolidin-3-yl]…

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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) 3.32 6.23 -38.99 1 4 1 39 290.774 4 ↓
Mid Mid (pH 6-8) 3.32 3.74 -4.27 0 4 0 38 289.766 4 ↓

Analogs

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Popular Name: 2-[(3R)-1-benzylpyrrolidin-3-yl]oxy-6-chloro-pyrazine 2-[(3R)-1-benzylpyrrolidin-3-yl]…

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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) 3.32 6.12 -38.82 1 4 1 39 290.774 4 ↓
Mid Mid (pH 6-8) 3.32 3.79 -4.12 0 4 0 38 289.766 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1-benzylpyrrolidin-3-yl]oxy-3-chloro-pyrazine 2-[(3S)-1-benzylpyrrolidin-3-yl]…

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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) 2.76 6.3 -40.83 1 4 1 39 290.774 4 ↓
Mid Mid (pH 6-8) 2.76 3.87 -7.76 0 4 0 38 289.766 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-1-benzylpyrrolidin-3-yl]oxy-3-chloro-pyrazine 2-[(3R)-1-benzylpyrrolidin-3-yl]…

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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) 2.76 6.27 -40.69 1 4 1 39 290.774 4 ↓
Mid Mid (pH 6-8) 2.76 3.82 -6.89 0 4 0 38 289.766 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1-benzylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile 3-[(3S)-1-benzylpyrrolidin-3-yl]…

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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 6.19 -44.36 1 5 1 63 281.339 4 ↓
Mid Mid (pH 6-8) 1.95 3.76 -11.46 0 5 0 62 280.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-1-benzylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile 3-[(3R)-1-benzylpyrrolidin-3-yl]…

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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 6.14 -44.06 1 5 1 63 281.339 4 ↓
Mid Mid (pH 6-8) 1.95 3.69 -9.88 0 5 0 62 280.331 4 ↓

Parameters Provided:

ring.id = 7314
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 = 7314 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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