UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-[(8aS,9R)-3,3,6,6-tetramethyl-1,8-dioxo-2,4,7,8a,9,10-hexahydroacridin-9-yl]-2-methoxy-phenoxy] 2-[4-[(8aS,9R)-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) 2.95 8.2 -27.86 2 7 0 108 452.551 5 ↓
Mid Mid (pH 6-8) 3.12 8.25 -23.1 2 7 0 108 452.551 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(8aR,9R)-3,3,6,6-tetramethyl-1,8-dioxo-2,4,7,8a,9,10-hexahydroacridin-9-yl]-2-methoxy-phenoxy] 2-[4-[(8aR,9R)-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) 2.95 8.12 -23.95 2 7 0 108 452.551 5 ↓
Mid Mid (pH 6-8) 3.12 7.52 -21.86 2 7 0 108 452.551 5 ↓

Analogs

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Popular Name: 8-hydroxy-9-(2-propoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridin-1-one 8-hydroxy-9-(2-propoxyphenyl)-3,…

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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) 3.68 -1.64 -19.4 0 4 0 55 351.446 4 ↓
Mid Mid (pH 6-8) 3.68 -1.63 -22.32 0 4 0 55 351.446 4 ↓
Mid Mid (pH 6-8) 3.68 -0.38 -19.03 0 4 0 55 351.446 4 ↓

Analogs

38193930
38193930
975537
975537

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

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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) 5.36 -1.05 -17.15 0 3 0 46 428.37 1 ↓
Mid Mid (pH 6-8) 5.36 -0.94 -19.47 0 3 0 46 428.37 1 ↓
Mid Mid (pH 6-8) 5.52 -2.21 -13.59 0 3 0 46 428.37 1 ↓

Analogs

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

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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) 5.19 10.32 -50.37 0 4 -1 62 378.492 2 ↓
Mid Mid (pH 6-8) 4.77 0.81 -14.8 0 4 0 55 379.5 2 ↓

Parameters Provided:

ring.id = 18829
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 = 18829 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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