UCSF
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Analogs

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Popular Name: (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-nitro-2-furyl)methanone (1-methyl-3,5-dihydro-2H-1,4-ben…

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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 7.89 -6.86 0 7 0 83 301.302 2 ↓
Mid Mid (pH 6-8) 2.03 8.07 -39.73 1 7 1 84 302.31 2 ↓

Analogs

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

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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) 1.78 5.95 -7.26 1 7 0 91 287.275 2 ↓
Lo Low (pH 4.5-6) 1.78 6.24 -47.09 2 7 1 96 288.283 2 ↓

Parameters Provided:

ring.id = 160868
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 = 160868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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