UCSF
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Analogs

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Popular Name: 4-[(5-acetyl-2-methoxy-phenyl)methyl]-3-pyrimidin-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) 0.98 8.56 -15.66 0 8 0 100 326.312 5 ↓

Analogs

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Popular Name: 4-fluoro-3-[(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile 4-fluoro-3-[(5-oxo-3-pyrimidin-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) 0.94 8.24 -15.61 0 7 0 98 297.249 3 ↓

Analogs

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

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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) 0.85 8.47 -15.93 0 7 0 98 279.259 3 ↓

Analogs

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

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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) -0.11 4.85 -24.24 2 8 0 117 297.274 4 ↓

Analogs

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Popular Name: 4-[(4-tert-butylphenyl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one 4-[(4-tert-butylphenyl)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) 2.80 10.4 -13.69 0 6 0 74 310.357 4 ↓

Parameters Provided:

ring.id = 179949
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 = 179949 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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