UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: BRD-A25912256-001-01-3 BRD-A25912256-001-01-3

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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) 1.57 9.04 -13.37 0 7 0 90 357.362 7 ↓
Ref Reference (pH 7) 1.57 9.04 -13.38 0 7 0 90 357.362 7 ↓

Analogs

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Popular Name: 2-(3,4-dimethylphenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate 2-(3,4-dimethylphenyl)-2-oxoethy…

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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) 2.34 10.97 -12.94 0 6 0 81 355.39 6 ↓

Analogs

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Popular Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] [2-(4-chloro-3-nitro-phenyl)-2-o…

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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) 2.08 10.83 -19.03 0 9 0 127 406.778 7 ↓

Analogs

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Popular Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] [2-(4-chloro-3-nitro-phenyl)-2-o…

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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) 2.08 10.81 -18.13 0 9 0 127 406.778 7 ↓
Ref Reference (pH 7) 2.08 10.81 -18.12 0 9 0 127 406.778 7 ↓

Analogs

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Popular Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] [2-(2-methoxyphenyl)-2-oxo-ethyl]

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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) 1.53 9.92 -15.94 0 7 0 90 357.362 7 ↓

Analogs

36446953
36446953
12925383
12925383

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Popular Name: [(1R)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] [(1R)-2-(4-acetamidophenyl)-1-me…

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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) 2.74 12.01 -18.41 1 8 0 110 454.523 9 ↓

Parameters Provided:

ring.id = 41157
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 = 41157 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=41157&filter.purchasability=annotated

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