UCSF
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Analogs

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Popular Name: 4-[(5-oxo-3-pyrazin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile 4-[(5-oxo-3-pyrazin-2-yl-1,2,4-o…

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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) 0.84 7.47 -13.81 0 7 0 98 279.259 3 ↓

Analogs

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Popular Name: 4-[(5-acetyl-2-methoxy-phenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one 4-[(5-acetyl-2-methoxy-phenyl)me…

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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 7.48 -13.05 0 8 0 100 326.312 5 ↓

Analogs

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Popular Name: 4-(p-tolylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one 4-(p-tolylmethyl)-3-pyrazin-2-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) 1.54 7.76 -11.46 0 6 0 74 268.276 3 ↓

Analogs

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Popular Name: 4-[(2,3-difluorophenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one 4-[(2,3-difluorophenyl)methyl]-3…

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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) 1.32 6.94 -18.68 0 6 0 74 290.229 3 ↓

Analogs

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Popular Name: 4-[(5-oxo-3-pyrazin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzamide 4-[(5-oxo-3-pyrazin-2-yl-1,2,4-o…

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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 3.86 -15.53 2 8 0 117 297.274 4 ↓

Analogs

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Popular Name: 4-[(2-nitrophenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one 4-[(2-nitrophenyl)methyl]-3-pyra…

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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) 1.00 6.86 -13.07 0 9 0 120 299.246 4 ↓

Parameters Provided:

ring.id = 180394
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 = 180394 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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