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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-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-(2-diethylaminoethyl)propanamide 3-[5-(1,3-benzodioxol-5-ylmethyl…

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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) 1.18 -2.96 -49.53 2 8 1 91 375.449 10 ↓

Analogs

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Popular Name: 2-[(5-piperonyl-1,3,4-oxadiazol-2-yl)thio]acetamide 2-[(5-piperonyl-1,3,4-oxadiazol-…

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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) 0.75 -2.17 -15.03 2 7 0 100 293.304 5 ↓

Analogs

5763948
5763948

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Popular Name: 1-[(5-piperonyl-1,3,4-oxadiazol-2-yl)thio]acetone 1-[(5-piperonyl-1,3,4-oxadiazol-…

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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) 1.56 1.69 -13.71 0 6 0 74 292.316 5 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[(5-piperonyl-1,3,4-oxadiazol-2-yl)thio]acetamide N,N-dimethyl-2-[(5-piperonyl-1,3…

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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) 0.92 1.32 -14.67 0 7 0 78 321.358 5 ↓

Analogs

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Popular Name: (2S)-2-[(5-piperonyl-1,3,4-oxadiazol-2-yl)thio]propionamide (2S)-2-[(5-piperonyl-1,3,4-oxadi…

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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) 1.11 -1.26 -14.47 2 7 0 100 307.331 5 ↓

Analogs

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Popular Name: (2R)-2-[(5-piperonyl-1,3,4-oxadiazol-2-yl)thio]propionamide (2R)-2-[(5-piperonyl-1,3,4-oxadi…

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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) 1.11 -1.27 -14.6 2 7 0 100 307.331 5 ↓

Analogs

5763948
5763948

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Popular Name: 2-(methylthio)-5-piperonyl-1,3,4-oxadiazole 2-(methylthio)-5-piperonyl-1,3,4…

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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) 2.01 0.87 -10.68 0 5 0 57 250.279 3 ↓

Analogs

5763948
5763948

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Popular Name: 4-[[5-(benzo[1,3]dioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile 4-[[5-(benzo[1,3]dioxol-5-ylmeth…

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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) 1.74 3.07 -16.6 0 6 0 81 303.343 6 ↓

Parameters Provided:

ring.id = 49018
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 = 49018 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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