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

Analogs

14242534
14242534
16553673
16553673
16553675
16553675
16554200
16554200
16554202
16554202

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Popular Name: [(1S)-2-[(2-chloro-5-nitro-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(2-chloro-5-nitro-pheny…

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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) 2.76 7.25 -16.96 2 9 0 126 398.828 7 ↓

Analogs

16553673
16553673
16553675
16553675
16554200
16554200
16554202
16554202
16554206
16554206

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Popular Name: [(1R)-2-[(2-chloro-5-nitro-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2-chloro-5-nitro-pheny…

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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) 2.76 7.17 -15.98 2 9 0 126 398.828 7 ↓

Analogs

14249977
14249977
16553811
16553811
16553813
16553813
16553856
16553856
16553858
16553858

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Popular Name: [(1S)-2-[(4-tert-butylphenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(4-tert-butylphenyl)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) 3.90 8.27 -13.84 2 6 0 80 375.494 7 ↓

Analogs

16553811
16553811
16553813
16553813
16553856
16553856
16553858
16553858
16554060
16554060

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[(4-tert-butylphenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(4-tert-butylphenyl)ami…

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Activity (Go SEA)

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) 3.90 8.25 -12.73 2 6 0 80 375.494 7 ↓

Analogs

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Popular Name: [2-(isopropyl-phenyl-amino)-2-oxo-ethyl] [2-(isopropyl-phenyl-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) 2.37 6.75 -13.09 2 6 0 86 333.413 6 ↓

Parameters Provided:

ring.id = 237258
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 = 237258 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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