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Analogs

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Popular Name: 1-[(3-bromo-2-thienyl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(3-bromo-2-thienyl)sulfonyl]-…

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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) 3.00 3.54 -13.08 1 4 0 49 373.297 2 ↓
Mid Mid (pH 6-8) 3.00 4.81 -50.72 2 4 1 54 374.305 2 ↓

Analogs

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Popular Name: 1-[(5-ethyl-2-thienyl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(5-ethyl-2-thienyl)sulfonyl]-…

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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) 3.06 4.58 -11.24 1 4 0 49 322.455 3 ↓
Mid Mid (pH 6-8) 3.06 5.83 -47.93 2 4 1 54 323.463 3 ↓

Analogs

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Popular Name: 1-[(5-methyl-2-thienyl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(5-methyl-2-thienyl)sulfonyl]…

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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) 2.49 3.8 -11.62 1 4 0 49 308.428 2 ↓
Mid Mid (pH 6-8) 2.49 5.04 -48.08 2 4 1 54 309.436 2 ↓

Analogs

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Popular Name: 1-[(5-bromo-2-thienyl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(5-bromo-2-thienyl)sulfonyl]-…

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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) 3.20 3.81 -8.54 1 4 0 49 373.297 2 ↓
Mid Mid (pH 6-8) 3.20 5.09 -50.92 2 4 1 54 374.305 2 ↓

Analogs

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Popular Name: 1-[(5-chloro-2-thienyl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(5-chloro-2-thienyl)sulfonyl]…

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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) 3.07 3.71 -8.55 1 4 0 49 328.846 2 ↓
Mid Mid (pH 6-8) 3.07 4.99 -50.97 2 4 1 54 329.854 2 ↓

Analogs

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Popular Name: 1-(2-thienylsulfonyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(2-thienylsulfonyl)-2,3,4,5-te…

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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) 2.27 3.08 -10.82 1 4 0 49 294.401 2 ↓
Mid Mid (pH 6-8) 2.27 4.36 -51.45 2 4 1 54 295.409 2 ↓

Parameters Provided:

ring.id = 280624
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 = 280624 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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