UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-ethyl-2-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]aniline N-ethyl-2-methyl-N-[(6-nitro-4H-…

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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) 3.89 10.84 -6.72 0 6 0 68 328.368 5 ↓
Lo Low (pH 4.5-6) 3.89 10.51 -35.55 1 6 1 69 329.376 5 ↓

Analogs

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Popular Name: 1-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylamino]phenyl]ethanone 1-[4-[(6-chloro-4H-1,3-benzodiox…

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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) 3.49 7.22 -9.66 1 4 0 48 317.772 4 ↓

Analogs

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Popular Name: 1-[3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylamino]phenyl]ethanone 1-[3-[(6-chloro-4H-1,3-benzodiox…

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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) 3.46 7.1 -10.32 1 4 0 48 317.772 4 ↓

Analogs

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Popular Name: 2-bromo-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-aniline 2-bromo-N-[(6-chloro-4H-1,3-benz…

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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) 4.77 8.09 -5.5 1 3 0 30 368.658 3 ↓

Parameters Provided:

ring.id = 29859
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 = 29859 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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