UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxo-ethyl] [2-[(2,5-dimethoxyphenyl)amino]-…

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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) 4.83 9.86 -19.08 2 10 0 132 451.435 10 ↓

Analogs

4508641
4508641

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Popular Name: [2-(2-cyanoethyl-phenyl-amino)-2-oxo-ethyl] [2-(2-cyanoethyl-phenyl-amino)-2…

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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) 4.49 14.31 -20.62 1 9 0 128 444.447 10 ↓

Analogs

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

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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) 4.80 10.56 -16.68 2 9 0 122 421.409 9 ↓

Analogs

4508682
4508682
4509454
4509454
4509500
4509500

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Popular Name: [2-[(2,6-dichlorophenyl)amino]-2-oxo-ethyl] [2-[(2,6-dichlorophenyl)amino]-2…

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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) 6.05 12.16 -15.94 2 8 0 113 460.273 8 ↓

Analogs

4508772
4508772

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Popular Name: [2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] [2-oxo-2-[[2-(trifluoromethyl)ph…

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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) 5.64 12.38 -15.41 2 8 0 113 459.38 9 ↓

Analogs

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Popular Name: [2-[(2-fluoro-5-nitro-phenyl)amino]-2-oxo-ethyl] [2-[(2-fluoro-5-nitro-phenyl)ami…

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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) 4.84 11.87 -20.97 2 11 0 159 454.37 9 ↓

Analogs

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Popular Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxo-ethyl] [2-[(2-methoxy-4-nitro-phenyl)am…

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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) 4.73 11.2 -19.36 2 12 0 168 466.406 10 ↓

Analogs

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Popular Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxo-ethyl] [2-[(2-methyl-6-nitro-phenyl)ami…

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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) 5.10 12.84 -18.85 2 11 0 159 450.407 9 ↓

Parameters Provided:

ring.id = 134897
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 = 134897 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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