UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 4.62 14.07 -14.99 0 7 0 82 447.535 6 ↓

Analogs

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Popular Name: [2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] [2-oxo-2-[[3-(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) 4.57 11.91 -14.6 1 7 0 90 473.451 6 ↓

Analogs

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Popular Name: [2-[(3-chloro-4-fluoro-phenyl)amino]-2-oxo-ethyl] [2-[(3-chloro-4-fluoro-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) 4.47 11.48 -15.02 1 7 0 90 457.889 5 ↓

Analogs

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Popular Name: [2-oxo-2-[[4-(trifluoromethoxy)phenyl]amino]ethyl] [2-oxo-2-[[4-(trifluoromethoxy)p…

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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) 4.67 10.69 -15.07 1 8 0 100 489.45 7 ↓

Analogs

3529330
3529330

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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) 3.74 9.59 -17.64 1 9 0 109 465.506 7 ↓

Analogs

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Popular Name: [2-[(4-chloro-2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl] [2-[(4-chloro-2-methoxy-5-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) 4.74 11.42 -14.25 1 8 0 100 483.952 6 ↓

Analogs

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Popular Name: [2-[(3-chloro-4-methyl-phenyl)amino]-2-oxo-ethyl] [2-[(3-chloro-4-methyl-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) 4.75 12.01 -16.97 1 7 0 90 453.926 5 ↓

Analogs

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Popular Name: [2-[(3,4-difluorophenyl)amino]-2-oxo-ethyl] [2-[(3,4-difluorophenyl)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) 3.96 11.03 -18.98 1 7 0 90 441.434 5 ↓

Analogs

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Popular Name: [2-[(4-bromo-3-methyl-phenyl)amino]-2-oxo-ethyl] [2-[(4-bromo-3-methyl-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) 4.89 12.09 -15.35 1 7 0 90 498.377 5 ↓

Analogs

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Popular Name: [2-[(2-chloro-4-fluoro-phenyl)amino]-2-oxo-ethyl] [2-[(2-chloro-4-fluoro-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) 4.47 11.6 -12.67 1 7 0 90 457.889 5 ↓

Analogs

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Popular Name: [2-[(3,5-dimethylphenyl)amino]-2-oxo-ethyl] [2-[(3,5-dimethylphenyl)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) 4.53 12.23 -15.54 1 7 0 90 433.508 5 ↓

Analogs

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Popular Name: [2-[(2,6-diethylphenyl)amino]-2-oxo-ethyl] [2-[(2,6-diethylphenyl)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) 4.50 14.05 -14.81 1 7 0 90 461.562 7 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] [(1R)-1-methyl-2-oxo-2-[[3-(trif…

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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) 4.93 12.75 -13.93 1 7 0 90 487.478 6 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] [(1S)-1-methyl-2-oxo-2-[[3-(trif…

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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) 4.93 12.74 -14.07 1 7 0 90 487.478 6 ↓

Analogs

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Popular Name: [2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] [2-oxo-2-[[4-(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) 4.60 11.9 -16.05 1 7 0 90 473.451 6 ↓

Analogs

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Popular Name: [2-[(4-methoxycarbonylphenyl)amino]-2-oxo-ethyl] [2-[(4-methoxycarbonylphenyl)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) 3.87 11.56 -19.78 1 9 0 117 463.49 7 ↓

Analogs

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Popular Name: [2-[(2,3-dichlorophenyl)amino]-2-oxo-ethyl] [2-[(2,3-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) 4.96 12 -13.28 1 7 0 90 474.344 5 ↓

Analogs

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

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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) 4.16 14.17 -15.09 1 7 0 90 461.562 6 ↓

Analogs

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Popular Name: [2-[(4-fluoro-3-nitro-phenyl)amino]-2-oxo-ethyl] [2-[(4-fluoro-3-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) 3.75 11.61 -18.44 1 10 0 136 468.441 6 ↓

Analogs

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Popular Name: [2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl] [2-oxo-2-[(2,4,6-trimethylphenyl…

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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) 3.97 13.33 -15.29 1 7 0 90 447.535 5 ↓

Analogs

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Popular Name: [2-[(2-bromo-4-methyl-phenyl)amino]-2-oxo-ethyl] [2-[(2-bromo-4-methyl-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) 4.89 12.3 -13.15 1 7 0 90 498.377 5 ↓

Analogs

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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) 4.55 12.19 -13.58 1 7 0 90 473.451 6 ↓

Analogs

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Popular Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxo-ethyl] [2-[(3,5-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) 3.74 9.51 -18.35 1 9 0 109 465.506 7 ↓

Analogs

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

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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) 4.32 13.38 -15.04 0 7 0 82 433.508 6 ↓

Analogs

21760635
21760635

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Popular Name: [2-[(3-ethylphenyl)amino]-2-oxo-ethyl] [2-[(3-ethylphenyl)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) 4.59 12.34 -15.15 1 7 0 90 433.508 6 ↓

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) 4.26 12.2 -15.11 1 10 0 136 484.896 6 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-[(3-nitrophenyl)amino]-2-oxo-ethyl] [(1R)-1-methyl-2-[(3-nitrophenyl…

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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) 4.00 12.41 -16.19 1 10 0 136 464.478 6 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-[(3-nitrophenyl)amino]-2-oxo-ethyl] [(1S)-1-methyl-2-[(3-nitrophenyl…

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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) 4.00 12.4 -16.05 1 10 0 136 464.478 6 ↓

Analogs

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Popular Name: [(1R)-2-[(2,3-dichlorophenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2,3-dichlorophenyl)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) 5.32 12.82 -12.7 1 7 0 90 488.371 5 ↓

Analogs

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Popular Name: [(1S)-2-[(2,3-dichlorophenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(2,3-dichlorophenyl)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) 5.32 12.88 -12.39 1 7 0 90 488.371 5 ↓

Analogs

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

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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) 4.98 13.2 -14.61 1 7 0 90 447.535 6 ↓

Analogs

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Popular Name: [(1S)-2-[(4-ethylphenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(4-ethylphenyl)amino]-1…

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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) 4.98 13.19 -14.84 1 7 0 90 447.535 6 ↓

Analogs

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Popular Name: [(1R)-2-[(2-chloro-4-nitro-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2-chloro-4-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) 4.63 13 -14.53 1 10 0 136 498.923 6 ↓

Analogs

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Popular Name: [(1S)-2-[(2-chloro-4-nitro-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(2-chloro-4-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) 4.63 13.07 -14.21 1 10 0 136 498.923 6 ↓

Analogs

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Popular Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxo-ethyl] [2-[(2,4-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) 3.74 9.58 -15.6 1 9 0 109 465.506 7 ↓

Analogs

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Popular Name: [2-[(3-fluorophenyl)amino]-2-oxo-ethyl] [2-[(3-fluorophenyl)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) 3.84 10.96 -14.71 1 7 0 90 423.444 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) 3.33 10.03 -20.1 1 10 0 118 495.532 8 ↓

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) 3.55 11.7 -16.19 1 8 0 107 447.491 6 ↓

Analogs

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

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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) 4.87 12.38 -14.56 1 7 0 90 498.377 5 ↓

Analogs

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Popular Name: [(1S)-2-[(4-bromophenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(4-bromophenyl)amino]-1…

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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) 4.87 12.37 -14.75 1 7 0 90 498.377 5 ↓

Analogs

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Popular Name: [(1R)-2-[(2-fluorophenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2-fluorophenyl)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) 4.18 11.8 -13.72 1 7 0 90 437.471 5 ↓

Analogs

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Popular Name: [(1S)-2-[(2-fluorophenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(2-fluorophenyl)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) 4.18 11.89 -13.38 1 7 0 90 437.471 5 ↓

Analogs

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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) 4.63 13 -17.51 1 10 0 136 498.923 6 ↓

Analogs

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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) 4.63 13.08 -17.75 1 10 0 136 498.923 6 ↓

Analogs

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Popular Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxo-ethyl] [2-[2-cyanoethyl-(3,5-dimethylph…

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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) 4.23 15.41 -19.29 0 8 0 105 486.572 7 ↓

Analogs

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

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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) 4.31 12.85 -15.07 0 7 0 82 433.508 5 ↓

Analogs

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

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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) 4.31 12.85 -14.88 0 7 0 82 433.508 5 ↓

Analogs

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Popular Name: [(1R)-2-[(2,5-dimethoxyphenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2,5-dimethoxyphenyl)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) 4.10 10.42 -17 1 9 0 109 479.533 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[(2,5-dimethoxyphenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(2,5-dimethoxyphenyl)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) 4.10 10.46 -17.21 1 9 0 109 479.533 7 ↓

Analogs

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Popular Name: [(1R)-2-[(2-cyanophenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2-cyanophenyl)amino]-1…

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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) 3.77 12.16 -14.98 1 8 0 114 444.491 5 ↓

Parameters Provided:

ring.id = 45193
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 = 45193 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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