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Analogs

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

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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) 2.35 4.1 -9.88 1 4 0 49 322.455 2 ↓
Mid Mid (pH 6-8) 2.35 5.38 -51.04 2 4 1 54 323.463 2 ↓

Analogs

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

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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) 3.77 3.83 -6.9 1 4 0 49 452.193 2 ↓
Mid Mid (pH 6-8) 3.77 5.12 -48.01 2 4 1 54 453.201 2 ↓

Analogs

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

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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 3.74 -7.12 1 4 0 49 363.291 2 ↓
Mid Mid (pH 6-8) 3.51 5.01 -48.55 2 4 1 54 364.299 2 ↓

Parameters Provided:

ring.id = 280638
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 = 280638 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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