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Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(5,6,7,…

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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) 4.40 5.4 -6.25 0 3 0 39 341.274 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(5,6,7,…

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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) 4.40 5.4 -6.28 0 3 0 39 341.274 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(5,6,7,8-tetrahydro-4H…

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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) 1.19 2.16 -43.75 3 4 1 67 278.401 3 ↓
Hi High (pH 8-9.5) 1.19 1.81 -7.09 2 4 0 65 277.393 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(5,6,7,8-tetrahydro-4H…

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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) 1.19 2.16 -43.74 3 4 1 67 278.401 3 ↓
Hi High (pH 8-9.5) 1.19 1.83 -5.87 2 4 0 65 277.393 3 ↓

Analogs

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Popular Name: 3-[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(5,6,7,8-tetrahydro-4H-cycl…

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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) 2.52 4.74 -44.45 0 5 -1 79 291.352 4 ↓

Analogs

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Popular Name: 4-[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(5,6,7,8-tetrahydro-4H-cycl…

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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) 2.79 5.52 -49.99 0 5 -1 79 305.379 5 ↓

Parameters Provided:

ring.id = 220232
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 = 220232 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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