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Analogs

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Popular Name: 3-tert-butyl-5-[(1S)-1-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(1S)-1-[5-[3-(tr…

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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) 4.07 6.51 -11.88 0 7 0 83 366.347 5 ↓

Analogs

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Popular Name: 3-tert-butyl-5-[(1R)-1-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(1R)-1-[5-[3-(tr…

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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) 4.07 6.51 -11.87 0 7 0 83 366.347 5 ↓

Analogs

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Popular Name: 4-[2-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]tetrazol-5-yl]benzamide 4-[2-[(1R)-1-(3-propyl-1,2,4-oxa…

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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) 1.37 2.06 -14.87 2 9 0 126 327.348 6 ↓

Analogs

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Popular Name: 4-[2-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]tetrazol-5-yl]benzamide 4-[2-[(1S)-1-(3-propyl-1,2,4-oxa…

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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) 1.37 2.06 -15.1 2 9 0 126 327.348 6 ↓

Analogs

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Popular Name: 4-[2-[(1R)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]tetrazol-5-yl]benzamide 4-[2-[(1R)-1-(3-isopropyl-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) 1.35 1.74 -15.19 2 9 0 126 327.348 5 ↓

Analogs

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Popular Name: 4-[2-[(1S)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]tetrazol-5-yl]benzamide 4-[2-[(1S)-1-(3-isopropyl-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) 1.35 1.74 -15.14 2 9 0 126 327.348 5 ↓

Analogs

43403864
43403864

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Popular Name: 3-tert-butyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(5-phenyltetrazo…

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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) 2.83 4.89 -11.84 0 7 0 83 284.323 4 ↓

Analogs

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Popular Name: 4-[2-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]tetrazol-5-yl]benzamide 4-[2-[(1S)-1-(3-tert-butyl-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) 2.02 2.29 -15.23 2 9 0 126 341.375 5 ↓

Analogs

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Popular Name: 4-[2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]tetrazol-5-yl]benzamide 4-[2-[(1R)-1-(3-tert-butyl-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) 2.02 2.29 -15.2 2 9 0 126 341.375 5 ↓

Analogs

43403864
43403864

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Popular Name: 3-tert-butyl-5-[[5-(p-tolyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole 3-tert-butyl-5-[[5-(p-tolyl)tetr…

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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) 3.28 5.57 -11.61 0 7 0 83 298.35 4 ↓

Analogs

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Popular Name: 5-[[5-(4-fluoro-3-methyl-phenyl)tetrazol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole 5-[[5-(4-fluoro-3-methyl-phenyl)…

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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) 1.65 3.97 -11.33 0 7 0 83 274.259 3 ↓

Parameters Provided:

ring.id = 400458
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 = 400458 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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