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Analogs

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Popular Name: 3-[[(1S)-1-cyclopropylethyl]-[[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]methyl]amino]propanenitrile 3-[[(1S)-1-cyclopropylethyl]-[[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) 1.78 8.48 -48.11 1 6 1 76 319.41 7 ↓
Mid Mid (pH 6-8) 1.78 4.96 -11.16 0 6 0 75 318.402 7 ↓

Analogs

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Popular Name: 3-[[(1R)-1-cyclopropylethyl]-[[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]methyl]amino]propanenitrile 3-[[(1R)-1-cyclopropylethyl]-[[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) 1.78 8.71 -47.89 1 6 1 76 319.41 7 ↓
Mid Mid (pH 6-8) 1.78 5.05 -11.42 0 6 0 75 318.402 7 ↓

Analogs

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Popular Name: 3-[[cyclopropylmethyl(ethyl)amino]methyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one 3-[[cyclopropylmethyl(ethyl)amin…

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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) 2.37 6.72 -33.74 1 5 1 52 280.373 6 ↓
Hi High (pH 8-9.5) 2.37 4.35 -7.64 0 5 0 51 279.365 6 ↓

Parameters Provided:

ring.id = 406967
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 = 406967 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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