UCSF
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Analogs

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Popular Name: (5-nitro-3-thienyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (5-nitro-3-thienyl)-(2,3,4,5-tet…

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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) 2.12 7.15 -53.88 2 6 1 83 304.351 2 ↓
Hi High (pH 8-9.5) 2.12 5.88 -10.2 1 6 0 78 303.343 2 ↓

Analogs

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Popular Name: 2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl(3-thienyl)methanone 2,3,4,5-tetrahydro-1,4-benzodiaz…

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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) 2.03 6.2 -45.78 2 3 1 37 259.354 1 ↓
Hi High (pH 8-9.5) 2.03 4.93 -9.03 1 3 0 32 258.346 1 ↓

Parameters Provided:

ring.id = 280469
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 = 280469 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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