UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[[2-oxo-2-[(4-phenoxyphenyl)amino]ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide 4-[[2-oxo-2-[(4-phenoxyphenyl)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) 4.84 7.95 -16.55 3 6 0 79 443.425 9 ↓

Analogs

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Popular Name: acetamide, 2-[(2-ethyl-6-methylphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(2-ethyl-6-methylp…

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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) 5.05 11 -9.53 2 4 0 50 360.457 7 ↓

Analogs

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Popular Name: acetamide, 2-[(5-chloro-2-methylphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(5-chloro-2-methyl…

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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) 5.78 9.68 -9.86 2 4 0 50 366.848 6 ↓

Analogs

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Popular Name: acetamide, 2-[[2-(1-methylethyl)phenyl]amino]-N-(4-phenoxyphenyl)- acetamide, 2-[[2-(1-methylethyl)…

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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) 5.71 10.42 -10.35 2 4 0 50 360.457 7 ↓

Analogs

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Popular Name: acetamide, 2-[(3-ethoxyphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(3-ethoxyphenyl)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) 5.13 8.6 -13 2 5 0 60 362.429 8 ↓

Analogs

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Popular Name: acetamide, 2-[(3-chlorophenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(3-chlorophenyl)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) 5.37 8.84 -12.19 2 4 0 50 352.821 6 ↓

Analogs

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Popular Name: acetamide, 2-(ethylphenylamino)-N-(4-phenoxyphenyl)- acetamide, 2-(ethylphenylamino)-…

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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) 5.34 11.25 -12.26 1 4 0 42 346.43 7 ↓
Lo Low (pH 4.5-6) 5.34 11.1 -34.23 2 4 0 43 347.438 7 ↓

Analogs

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Popular Name: acetamide, 2-[(2-chlorophenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(2-chlorophenyl)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) 5.35 8.91 -13 2 4 0 50 352.821 6 ↓

Analogs

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Popular Name: acetamide, 2-[(4-chlorophenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(4-chlorophenyl)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) 5.40 8.84 -11.37 2 4 0 50 352.821 6 ↓

Analogs

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Popular Name: acetamide, 2-[(3,4-dimethylphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(3,4-dimethylpheny…

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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) 5.54 9.59 -10.78 2 4 0 50 346.43 6 ↓
Lo Low (pH 4.5-6) 5.54 10.2 -43.51 3 4 1 55 347.438 6 ↓

Analogs

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Popular Name: acetamide, 2-[(2,4-dimethylphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(2,4-dimethylpheny…

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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) 5.54 9.84 -10.64 2 4 0 50 346.43 6 ↓

Analogs

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Popular Name: acetamide, 2-[(4-ethoxyphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(4-ethoxyphenyl)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) 5.15 8.59 -11.79 2 5 0 60 362.429 8 ↓
Lo Low (pH 4.5-6) 5.15 9.2 -46.62 3 5 1 64 363.437 8 ↓

Analogs

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Popular Name: acetamide, N-(4-phenoxyphenyl)-2-[(2,4,6-trimethylphenyl)amino]- acetamide, N-(4-phenoxyphenyl)-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) 4.99 10.26 -10.9 2 4 0 50 360.457 6 ↓

Analogs

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Popular Name: acetamide, 2-[(3,5-dimethylphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(3,5-dimethylpheny…

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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) 5.54 9.7 -10.79 2 4 0 50 346.43 6 ↓

Analogs

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Popular Name: acetamide, 2-[(2,5-dimethylphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(2,5-dimethylpheny…

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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) 5.54 9.84 -10.64 2 4 0 50 346.43 6 ↓

Analogs

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Popular Name: acetamide, 2-[(3-chloro-2-methylphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(3-chloro-2-methyl…

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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) 5.75 9.6 -11.61 2 4 0 50 366.848 6 ↓

Analogs

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Popular Name: acetamide, 2-[(4-methylphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(4-methylphenyl)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) 5.17 9.05 -10.62 2 4 0 50 332.403 6 ↓

Analogs

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Popular Name: acetamide, 2-[(3-methoxyphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(3-methoxyphenyl)a…

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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 7.67 -13.1 2 5 0 60 348.402 7 ↓

Analogs

9995696
9995696

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Popular Name: acetamide, 2-[(3-chloro-4-methylphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(3-chloro-4-methyl…

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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) 5.78 9.47 -9.95 2 4 0 50 366.848 6 ↓

Analogs

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Popular Name: acetamide, 2-[(2,3-dimethylphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(2,3-dimethylpheny…

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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) 5.52 9.73 -10.7 2 4 0 50 346.43 6 ↓

Analogs

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Popular Name: acetamide, 2-(methylphenylamino)-N-(4-phenoxyphenyl)- acetamide, 2-(methylphenylamino)…

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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) 4.96 10.31 -12.66 1 4 0 42 332.403 6 ↓
Lo Low (pH 4.5-6) 4.96 10.64 -20.56 2 4 0 43 333.411 6 ↓

Analogs

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Popular Name: acetamide, 2-[(2-ethoxyphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(2-ethoxyphenyl)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) 5.11 8.72 -12.76 2 5 0 60 362.429 8 ↓

Analogs

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Popular Name: acetamide, 2-[(2,6-dimethylphenyl)amino]-N-(4-phenoxyphenyl)- acetamide, 2-[(2,6-dimethylpheny…

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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) 4.58 9.68 -10.67 2 4 0 50 346.43 6 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 105923 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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