UCSF
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Analogs

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Popular Name: 2-(benzothiophen-2-yl)-5-[(1S)-1-bromopropyl]-1,3,4-oxadiazole 2-(benzothiophen-2-yl)-5-[(1S)-1…

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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) 4.02 4.7 -7.52 0 3 0 39 323.215 3 ↓

Analogs

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Popular Name: 2-(benzothiophen-2-yl)-5-[(1R)-1-bromopropyl]-1,3,4-oxadiazole 2-(benzothiophen-2-yl)-5-[(1R)-1…

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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) 4.02 4.7 -7.51 0 3 0 39 323.215 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(benzothiophen-2-yl)-1…

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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 1.45 -45.36 3 4 1 67 260.342 3 ↓
Hi High (pH 8-9.5) 0.82 1.13 -7.05 2 4 0 65 259.334 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(benzothiophen-2-yl)-1…

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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 1.45 -45.38 3 4 1 67 260.342 3 ↓
Hi High (pH 8-9.5) 0.82 1.09 -8.33 2 4 0 65 259.334 3 ↓

Analogs

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Popular Name: 2-(benzothiophen-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole 2-(benzothiophen-2-yl)-5-(chloro…

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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) 3.03 3.17 -8.8 0 3 0 39 250.71 2 ↓

Analogs

42431857
42431857

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Popular Name: 2-(benzothiophen-2-yl)-5-[(1S)-1-chloroethyl]-1,3,4-oxadiazole 2-(benzothiophen-2-yl)-5-[(1S)-1…

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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) 3.39 3.88 -8.39 0 3 0 39 264.737 2 ↓

Analogs

42431856
42431856

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Popular Name: 2-(benzothiophen-2-yl)-5-[(1R)-1-chloroethyl]-1,3,4-oxadiazole 2-(benzothiophen-2-yl)-5-[(1R)-1…

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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) 3.39 3.88 -8.37 0 3 0 39 264.737 2 ↓

Analogs

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Popular Name: 2-(benzothiophen-2-yl)-5-(2-chloroethyl)-1,3,4-oxadiazole 2-(benzothiophen-2-yl)-5-(2-chlo…

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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) 3.24 3.96 -7.79 0 3 0 39 264.737 3 ↓

Analogs

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Popular Name: 2-(benzothiophen-2-yl)-5-(3-chloropropyl)-1,3,4-oxadiazole 2-(benzothiophen-2-yl)-5-(3-chlo…

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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) 3.51 4.73 -10.21 0 3 0 39 278.764 4 ↓

Analogs

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Popular Name: 5-(benzothiophen-2-yl)-1,3,4-oxadiazol-2-amine 5-(benzothiophen-2-yl)-1,3,4-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) 2.51 -0.01 -9.28 2 4 0 65 217.253 1 ↓

Analogs

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Popular Name: 5-(benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol 5-(benzothiophen-2-yl)-1,3,4-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) 3.42 2.38 -42.85 0 3 -1 39 233.297 1 ↓
Lo Low (pH 4.5-6) 2.69 2.94 -8.38 1 3 0 42 234.305 1 ↓

Parameters Provided:

ring.id = 220269
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 = 220269 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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