UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14554912
14554912

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[[2-(1-methylpropyl)phenoxy]acetyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.16 11.67 -23.93 2 5 0 67 420.484 8 ↓

Analogs

14554911
14554911

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[[2-(1-methylpropyl)phenoxy]acetyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.16 11.68 -23.98 2 5 0 67 420.484 8 ↓

Analogs

14554960
14554960

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Popular Name: benzamide, 3-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(2,4-dichloroph…

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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) 5.48 10.73 -17.26 2 5 0 67 447.293 6 ↓

Analogs

14554959
14554959

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Popular Name: benzamide, 3-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(2,4-dichloroph…

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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) 5.48 10.71 -25.77 2 5 0 67 447.293 6 ↓

Analogs

14555025
14555025

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(4-methylphenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 4.64 10.33 -24.57 2 5 0 67 392.43 6 ↓

Analogs

14555023
14555023

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(4-methylphenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 4.64 10.34 -24.4 2 5 0 67 392.43 6 ↓

Analogs

14555032
14555032

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(3-methylphenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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 10.43 -24.88 2 5 0 67 392.43 6 ↓

Analogs

14555030
14555030

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(3-methylphenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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 10.34 -24.4 2 5 0 67 392.43 6 ↓

Analogs

14555036
14555036
14555203
14555203
14555206
14555206

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(2-methylphenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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 10.36 -24.34 2 5 0 67 392.43 6 ↓

Analogs

14555203
14555203
14555206
14555206
14555034
14555034

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(2-methylphenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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 10.37 -23.75 2 5 0 67 392.43 6 ↓

Analogs

14555041
14555041

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(2-methylphenoxy)-1-oxobutyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.09 10.97 -24.04 2 5 0 67 406.457 7 ↓

Analogs

14555039
14555039

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(2-methylphenoxy)-1-oxobutyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.09 10.93 -15.93 2 5 0 67 406.457 7 ↓

Analogs

14555050
14555050
14555054
14555054
14555056
14555056

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[(1-oxo-2-phenoxypropyl)amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 4.19 9.64 -24.65 2 5 0 67 378.403 6 ↓

Analogs

14555054
14555054
14555056
14555056
14555048
14555048

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[(1-oxo-2-phenoxypropyl)amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 4.19 9.67 -24.53 2 5 0 67 378.403 6 ↓

Analogs

14555056
14555056
14555048
14555048
14555050
14555050

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(4-methoxyphenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 4.25 8.94 -25.07 2 6 0 77 408.429 7 ↓

Analogs

14555048
14555048
14555050
14555050
14555054
14555054

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(4-methoxyphenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 4.25 8.95 -24.86 2 6 0 77 408.429 7 ↓

Analogs

14555060
14555060

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(2-methoxyphenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 3.81 9.49 -28.67 2 6 0 77 408.429 7 ↓

Analogs

14555058
14555058

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(2-methoxyphenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 3.81 9.4 -28.16 2 6 0 77 408.429 7 ↓

Analogs

14555064
14555064

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Popular Name: benzamide, 3-[[2-(4-chlorophenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(4-chlorophenox…

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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 10.17 -23.71 2 5 0 67 412.848 6 ↓

Analogs

14555062
14555062

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Popular Name: benzamide, 3-[[2-(4-chlorophenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(4-chlorophenox…

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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 10.18 -23.59 2 5 0 67 412.848 6 ↓

Analogs

14555069
14555069

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Popular Name: 3-[[(2S)-2-(2,5-dimethylphenoxy)propanoyl]amino]-N-(4-fluorophenyl)benzamide 3-[[(2S)-2-(2,5-dimethylphenoxy)…

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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) 5.02 11.04 -16.09 2 5 0 67 406.457 6 ↓

Analogs

14555067
14555067

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Popular Name: 3-[[(2R)-2-(2,5-dimethylphenoxy)propanoyl]amino]-N-(4-fluorophenyl)benzamide 3-[[(2R)-2-(2,5-dimethylphenoxy)…

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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) 5.02 11.1 -24.4 2 5 0 67 406.457 6 ↓

Analogs

14555082
14555082

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(4-methylphenoxy)-1-oxobutyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.14 10.93 -24.38 2 5 0 67 406.457 7 ↓

Analogs

14555080
14555080

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(4-methylphenoxy)-1-oxobutyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.14 10.9 -24.26 2 5 0 67 406.457 7 ↓

Analogs

14555092
14555092

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(3-methylphenoxy)-1-oxobutyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.12 10.91 -24.16 2 5 0 67 406.457 7 ↓

Analogs

14555090
14555090

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(3-methylphenoxy)-1-oxobutyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.12 10.9 -24.63 2 5 0 67 406.457 7 ↓

Analogs

14555097
14555097

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[(1-oxo-2-phenoxybutyl)amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 4.69 10.25 -24.4 2 5 0 67 392.43 7 ↓

Analogs

14555095
14555095

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[(1-oxo-2-phenoxybutyl)amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 4.69 10.21 -24.16 2 5 0 67 392.43 7 ↓

Analogs

14555105
14555105

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Popular Name: benzamide, 3-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(2-chlorophenox…

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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) 4.82 10.22 -18.02 2 5 0 67 412.848 6 ↓

Analogs

14555103
14555103

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Popular Name: benzamide, 3-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(2-chlorophenox…

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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) 4.82 10.2 -26.94 2 5 0 67 412.848 6 ↓

Analogs

14555127
14555127

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(2-nitrophenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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 10.8 -37.09 2 8 0 113 423.4 7 ↓

Analogs

14555124
14555124

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(2-nitrophenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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 10.79 -26.91 2 8 0 113 423.4 7 ↓

Analogs

14555152
14555152

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(4-nitrophenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 4.15 10.32 -26.89 2 8 0 113 423.4 7 ↓

Analogs

14555149
14555149

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-(4-nitrophenoxy)-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 4.15 10.34 -26.79 2 8 0 113 423.4 7 ↓

Analogs

14555171
14555171

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Popular Name: benzamide, 3-[[2-(4-ethylphenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(4-ethylphenoxy…

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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 11.14 -24.03 2 5 0 67 406.457 7 ↓

Analogs

14555168
14555168

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Popular Name: benzamide, 3-[[2-(4-ethylphenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(4-ethylphenoxy…

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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 11.1 -24.18 2 5 0 67 406.457 7 ↓

Analogs

14555178
14555178
14555284
14555284
14555288
14555288

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-[4-(1-methylethyl)phenoxy]-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.70 11.62 -23.81 2 5 0 67 420.484 7 ↓

Analogs

14555284
14555284
14555288
14555288
14555174
14555174

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Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-[4-(1-methylethyl)phenoxy]-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.70 11.66 -23.73 2 5 0 67 420.484 7 ↓

Analogs

14555206
14555206
14555034
14555034
14555036
14555036

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Popular Name: benzamide, 3-[[2-(2,6-dimethylphenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(2,6-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) 4.99 10.98 -22.68 2 5 0 67 406.457 6 ↓

Analogs

14555034
14555034
14555036
14555036
14555203
14555203

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Popular Name: benzamide, 3-[[2-(2,6-dimethylphenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(2,6-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) 4.99 10.99 -22.95 2 5 0 67 406.457 6 ↓

Analogs

14555221
14555221

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Popular Name: benzamide, 3-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(4-bromo-2,6-di…

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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 11.73 -21.36 2 5 0 67 485.353 6 ↓

Analogs

14555218
14555218

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Popular Name: benzamide, 3-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(4-bromo-2,6-di…

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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 11.65 -21.63 2 5 0 67 485.353 6 ↓

Analogs

14555227
14555227

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(2-bromo-4-chlo…

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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) 5.61 10.84 -17.11 2 5 0 67 491.744 6 ↓

Analogs

14555224
14555224

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-(2-bromo-4-chlo…

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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) 5.61 10.82 -25.49 2 5 0 67 491.744 6 ↓

Analogs

14555288
14555288
14555174
14555174
14555178
14555178

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[2-[4-(1,1-dimethylethyl)phenoxy]-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-[4-(1,1-dimethy…

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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) 5.90 11.98 -24.13 2 5 0 67 434.511 7 ↓

Analogs

14555174
14555174
14555178
14555178
14555284
14555284

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[2-[4-(1,1-dimethylethyl)phenoxy]-1-oxopropyl]amino]-N-(4-fluorophenyl)- benzamide, 3-[[2-[4-(1,1-dimethy…

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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) 5.90 11.98 -23.99 2 5 0 67 434.511 7 ↓

Analogs

14555336
14555336
14555340
14555340
14555344
14555344

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-[2-(1-methylpropyl)phenoxy]-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.53 12.33 -24.07 2 5 0 67 434.511 8 ↓

Analogs

14555340
14555340
14555344
14555344
14555332
14555332

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-[2-(1-methylpropyl)phenoxy]-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.53 12.33 -24.12 2 5 0 67 434.511 8 ↓

Analogs

14555344
14555344
14555332
14555332
14555336
14555336

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-[2-(1-methylpropyl)phenoxy]-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.53 12.26 -15.97 2 5 0 67 434.511 8 ↓

Analogs

14555332
14555332
14555336
14555336
14555340
14555340

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-(4-fluorophenyl)-3-[[2-[2-(1-methylpropyl)phenoxy]-1-oxopropyl]amino]- benzamide, N-(4-fluorophenyl)-3-…

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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) 5.53 12.26 -16.02 2 5 0 67 434.511 8 ↓

Parameters Provided:

ring.id = 41741
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 = 41741 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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