UCSF
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Analogs

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Popular Name: N-(2-dimethylaminoethyl)-2-oxo-N-(2-thienylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(2-dimethylaminoethyl)-2-oxo-N…

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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 7.86 -57.41 2 6 1 71 408.569 7 ↓
Hi High (pH 8-9.5) 2.51 5.33 -13.82 1 6 0 70 407.561 7 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2-oxo-N-(2-thienylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(2-methoxyethyl)-2-oxo-N-(2-th…

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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) 2.47 5.67 -13.24 1 6 0 76 394.518 7 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-2-oxo-N-(2-thienylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(3-methoxypropyl)-2-oxo-N-(2-t…

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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) 2.74 6.28 -14.54 1 6 0 76 408.545 8 ↓

Parameters Provided:

ring.id = 89230
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 = 89230 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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