UCSF
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Analogs

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Popular Name: 12-oxo-N'-[2-(p-tolylsulfanyl)acetyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydraz 12-oxo-N'-[2-(p-tolylsulfanyl)ac…

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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 9.56 -16.93 2 7 0 93 436.537 5 ↓

Analogs

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Popular Name: N'-[2-(2-fluorophenyl)sulfanylacetyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carb N'-[2-(2-fluorophenyl)sulfanylac…

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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) 2.67 8.94 -19.94 2 7 0 93 440.5 5 ↓

Analogs

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Popular Name: N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3- N'-[2-(2,5-dichlorophenyl)sulfan…

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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) 3.84 9.87 -16.92 2 7 0 93 491.4 5 ↓

Parameters Provided:

ring.id = 255250
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 = 255250 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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