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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5341790
5341790

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Popular Name: (9S)-8-hydroxy-3,3,6,6-tetramethyl-9-(2-pentoxyphenyl)-4,5,7,9-tetrahydro-2H-acridin-1-one (9S)-8-hydroxy-3,3,6,6-tetrameth…

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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) 6.64 13.7 -48.31 0 4 -1 62 434.6 6 ↓

Analogs

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Popular Name: 4-[(8aS,9R)-3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,8a,9-hexahydroacridin-9-yl]benzonitrile 4-[(8aS,9R)-3,3,6,6-tetramethyl-…

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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) 4.91 11.35 -38.1 0 4 -1 76 373.476 1 ↓
Mid Mid (pH 6-8) 4.49 11.04 -12.17 0 4 0 70 374.484 1 ↓

Analogs

25075859
25075859
5725
5725

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3,6,6-tetramethyl-9-(3-nitrophenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione 3,3,6,6-tetramethyl-9-(3-nitroph…

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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) 5.09 10.84 -51.1 0 6 -1 98 393.463 2 ↓
Mid Mid (pH 6-8) 4.67 1.3 -16.28 0 6 0 92 394.471 2 ↓
Mid Mid (pH 6-8) 4.67 2.5 -23.98 0 6 0 92 394.471 2 ↓

Parameters Provided:

ring.id = 94156
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 = 94156 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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