UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-[(2-iodophenyl)amino]-2-oxo-ethyl] [2-[(2-iodophenyl)amino]-2-oxo-e…

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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) 5.32 11.69 -13.03 2 5 0 71 474.298 5 ↓

Analogs

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Popular Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] [2-oxo-2-[(3,4,5-trimethoxypheny…

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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) 3.92 9.61 -20.69 2 8 0 99 438.48 8 ↓

Analogs

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Popular Name: [2-[(2-chloro-4-nitro-phenyl)amino]-2-oxo-ethyl] [2-[(2-chloro-4-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) 4.85 11.79 -12.39 2 8 0 117 427.844 6 ↓

Analogs

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Popular Name: [2-[(3-chloro-4-cyano-phenyl)amino]-2-oxo-ethyl] [2-[(3-chloro-4-cyano-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) 4.88 11.93 -14.49 2 6 0 95 421.884 5 ↓

Analogs

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Popular Name: [2-[(3-chloro-4-cyano-phenyl)amino]-2-oxo-ethyl] [2-[(3-chloro-4-cyano-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) 4.88 11.93 -14.55 2 6 0 95 421.884 5 ↓

Analogs

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

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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) 4.36 11.92 -14.53 2 6 0 88 404.466 6 ↓

Analogs

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

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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) 4.36 11.93 -14.43 2 6 0 88 404.466 6 ↓

Analogs

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Popular Name: [2-(cyanomethylsulfanyl)phenyl]carbamoylmethyl [2-(cyanomethylsulfanyl)phenyl]c…

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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) 4.46 0.98 -17.68 2 6 0 94 419.506 7 ↓

Analogs

20856651
20856651
20856655
20856655

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Popular Name: [2-(2,6-difluoroanilino)-2-oxo-ethyl] [2-(2,6-difluoroanilino)-2-oxo-e…

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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) 4.75 11.45 -15.05 2 5 0 71 398.409 5 ↓

Analogs

20856651
20856651
20856655
20856655

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Popular Name: [2-(2,6-difluoroanilino)-2-oxo-ethyl] [2-(2,6-difluoroanilino)-2-oxo-e…

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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) 4.75 11.45 -15.04 2 5 0 71 398.409 5 ↓

Parameters Provided:

ring.id = 75608
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 = 75608 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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