UCSF
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Analogs

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Popular Name: 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(5-tert-butyl-1,3,4-oxadia…

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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) 0.90 0.54 -16.29 0 7 0 87 303.244 5 ↓

Analogs

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Popular Name: 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(5-ethyl-1,3,4-oxadiazol-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) -0.25 -0.6 -16.74 0 7 0 87 275.19 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(5-methyl-…

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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) -0.82 -1.24 -17.27 0 7 0 87 261.163 4 ↓

Analogs

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Popular Name: 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(5-methyl-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) -1.08 -3.01 -59.49 3 7 1 97 223.26 3 ↓
Hi High (pH 8-9.5) -1.08 -3.26 -15.69 2 7 0 96 222.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(5-tert-butyl-1,3,4-oxadia…

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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) 0.64 -1.11 -58.49 3 7 1 97 265.341 4 ↓
Hi High (pH 8-9.5) 0.64 -1.36 -14.74 2 7 0 96 264.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(5-ethyl-1,3,4-oxadiazol-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) -0.51 -2.25 -58.95 3 7 1 97 237.287 4 ↓
Hi High (pH 8-9.5) -0.51 -2.5 -16.37 2 7 0 96 236.279 4 ↓

Parameters Provided:

ring.id = 103937
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 = 103937 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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