UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(6-Bromopyrazin-2-yl)morpholine 4-(6-Bromopyrazin-2-yl)morpholine

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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) 1.24 2.55 -5.46 0 4 0 38 244.092 1 ↓

Analogs

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Popular Name: 5-Morpholinopyrazine-2-carboxylic acid 5-Morpholinopyrazine-2-carboxyli…

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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) 0.11 2.62 -50.37 0 6 -1 78 208.197 2 ↓

Analogs

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Popular Name: 6-(4-Morpholinyl)pyrazinamine 6-(4-Morpholinyl)pyrazinamine

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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) -0.09 0.81 -6.84 2 5 0 64 180.211 1 ↓

Analogs

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Popular Name: Methyl 5-(4-morpholinyl)-2-pyrazinecarboxylate Methyl 5-(4-morpholinyl)-2-pyraz…

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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) 0.37 2.67 -8.37 0 6 0 65 223.232 3 ↓

Analogs

43537816
43537816
44477582
44477582
44477585
44477585

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Popular Name: (6R)-4-(3-chloropyrazin-2-yl)-2,2,6-trimethyl-morpholine (6R)-4-(3-chloropyrazin-2-yl)-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) 2.28 4.77 -5.83 0 4 0 38 241.722 1 ↓

Analogs

43537816
43537816
44477582
44477582
44477585
44477585

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Popular Name: (6S)-4-(3-chloropyrazin-2-yl)-2,2,6-trimethyl-morpholine (6S)-4-(3-chloropyrazin-2-yl)-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) 2.28 4.77 -5.85 0 4 0 38 241.722 1 ↓

Analogs

42256441
42256441
50107396
50107396
50107397
50107397
50107398
50107398

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Popular Name: (2R)-4-(6-chloropyrazin-2-yl)-2-methyl-morpholine (2R)-4-(6-chloropyrazin-2-yl)-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) 1.47 3.23 -5.22 0 4 0 38 213.668 1 ↓

Analogs

50107396
50107396
50107397
50107397
50107398
50107398
42256438
42256438

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Popular Name: (2S)-4-(6-chloropyrazin-2-yl)-2-methyl-morpholine (2S)-4-(6-chloropyrazin-2-yl)-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) 1.47 3.23 -5.21 0 4 0 38 213.668 1 ↓

Analogs

42256452
42256452

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Popular Name: (2R)-4-(6-chloropyrazin-2-yl)-2-ethyl-morpholine (2R)-4-(6-chloropyrazin-2-yl)-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) 1.97 4.07 -5.1 0 4 0 38 227.695 2 ↓

Analogs

42256448
42256448

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Popular Name: (2S)-4-(6-chloropyrazin-2-yl)-2-ethyl-morpholine (2S)-4-(6-chloropyrazin-2-yl)-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) 1.97 4.07 -5.08 0 4 0 38 227.695 2 ↓

Parameters Provided:

ring.id = 510824
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 = 510824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=510824&filter.purchasability=annotated

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