UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31085040
31085040

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Popular Name: N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-nitro-benzamide N-[(4-chlorophenyl)methyl]-N-cyc…

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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) 3.26 11.61 -19.37 0 5 0 66 330.771 5 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2,4,5-trimethoxy-benzamide N-[(4-chlorophenyl)methyl]-N-cyc…

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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) 3.53 8.8 -13.48 0 5 0 48 375.852 7 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-nitro-benzamide N-[(4-chlorophenyl)methyl]-N-cyc…

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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) 2.88 10.76 -16.59 0 7 0 85 390.823 7 ↓

Analogs

26393296
26393296
26393506
26393506

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Popular Name: N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-nitro-benzamide N-cyclopropyl-N-[(2,4-difluoroph…

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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) 2.84 11.25 -17.96 0 5 0 66 332.306 5 ↓

Analogs

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Popular Name: 4-chloro-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-nitro-benzamide 4-chloro-N-cyclopropyl-N-[(2,4-d…

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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) 3.49 10.6 -14.26 0 5 0 66 366.751 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2,4,5-trimethoxy-benzamide N-cyclopropyl-N-[(2,4-difluoroph…

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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) 3.10 8.98 -10.76 0 5 0 48 377.387 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2,4,5-trimethoxy-benzamide N-cyclopropyl-N-[(3-fluorophenyl…

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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) 2.99 8.36 -13.14 0 5 0 48 359.397 7 ↓

Analogs

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Popular Name: N-cyclopropyl-2-nitro-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide N-cyclopropyl-2-nitro-N-[[2-(tri…

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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) 3.43 12.49 -12.77 0 5 0 66 364.323 6 ↓

Analogs

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Popular Name: 4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-nitro-benzamide 4-chloro-N-cyclopropyl-N-[(3-flu…

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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) 3.37 10.52 -12.84 0 5 0 66 348.761 5 ↓

Analogs

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Popular Name: 4-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-nitro-benzamide 4-bromo-N-cyclopropyl-N-[(3-fluo…

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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) 3.50 10.59 -12.55 0 5 0 66 393.212 5 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-benzyl-N-cyclopropyl-benzamide 4-(aminomethyl)-N-benzyl-N-cyclo…

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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) 1.85 7.39 -54.77 3 3 1 48 281.379 5 ↓
Hi High (pH 8-9.5) 1.85 6.99 -7.3 2 3 0 46 280.371 5 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-benzyl-N-cyclopropyl-benzamide 3-(aminomethyl)-N-benzyl-N-cyclo…

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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) 1.83 7.38 -49.18 3 3 1 48 281.379 5 ↓
Hi High (pH 8-9.5) 1.83 6.98 -8.74 2 3 0 46 280.371 5 ↓

Analogs

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Popular Name: 5-acetamido-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-fluoro-benzamide 5-acetamido-N-[(4-chlorophenyl)m…

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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) 2.66 8.84 -15.11 1 4 0 49 360.816 5 ↓

Analogs

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Popular Name: 3-acetamido-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-4-fluoro-benzamide 3-acetamido-N-[(4-chlorophenyl)m…

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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) 2.66 9.22 -15.61 1 4 0 49 360.816 5 ↓

Analogs

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Popular Name: 5-acetamido-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-fluoro-benzamide 5-acetamido-N-cyclopropyl-N-[(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) 2.23 8.38 -17.08 1 4 0 49 362.351 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methoxy-4-[2-(methylamino)-2-oxo-ethoxy]benzamide N-cyclopropyl-N-[(4-ethylphenyl)…

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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) 2.34 9.41 -19.94 1 6 0 68 396.487 9 ↓

Analogs

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Popular Name: 3-acetamido-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-4-fluoro-benzamide 3-acetamido-N-cyclopropyl-N-[(4-…

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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) 2.89 9.84 -14.18 1 4 0 49 354.425 6 ↓

Analogs

37803385
37803385
37839655
37839655

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Popular Name: 2-amino-N-benzyl-N-cyclopropyl-5-fluoro-benzamide 2-amino-N-benzyl-N-cyclopropyl-5…

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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) 2.24 7.63 -7.1 2 3 0 46 284.334 4 ↓

Analogs

12042337
12042337

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Popular Name: 3-chloro-N-cyclopropyl-N-[[3-[(1R)-2-methoxy-1-methyl-ethoxy]phenyl]methyl]benzamide 3-chloro-N-cyclopropyl-N-[[3-[(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) 3.70 0.78 -10.36 0 4 0 39 373.88 8 ↓

Analogs

12042336
12042336

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Popular Name: 3-chloro-N-cyclopropyl-N-[[3-[(1S)-2-methoxy-1-methyl-ethoxy]phenyl]methyl]benzamide 3-chloro-N-cyclopropyl-N-[[3-[(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) 3.70 1.42 -9.83 0 4 0 39 373.88 8 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide N-cyclopropyl-N-[(2-fluorophenyl…

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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) 3.11 10.95 -14.67 0 5 0 66 360.41 6 ↓

Analogs

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Popular Name: N-cyclopropyl-4-dimethylamino-N-[(4-fluorophenyl)methyl]-3-nitro-benzamide N-cyclopropyl-4-dimethylamino-N-…

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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) 2.82 10.86 -14.74 0 6 0 69 357.385 6 ↓

Analogs

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Popular Name: 4-(2-amino-2-oxo-ethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide 4-(2-amino-2-oxo-ethoxy)-N-cyclo…

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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) 1.62 6.95 -20.31 2 5 0 73 342.37 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide N-cyclopropyl-N-[(4-fluorophenyl…

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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) 1.87 5.62 -18.36 1 7 0 85 436.505 10 ↓

Analogs

26103855
26103855
26105648
26105648
31195631
31195631

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Popular Name: 4-[[cyclopropyl-(3-nitrobenzoyl)amino]methyl]-N-methyl-benzamide 4-[[cyclopropyl-(3-nitrobenzoyl)…

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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) 1.80 8.46 -20.78 1 7 0 95 353.378 6 ↓

Analogs

36796732
36796732
37980306
37980306
37981517
37981517
37982004
37982004
37983419
37983419

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Popular Name: 4-[[cyclopropyl-(2-fluorobenzoyl)amino]methyl]-N-methyl-benzamide 4-[[cyclopropyl-(2-fluorobenzoyl…

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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) 1.98 7.67 -17.91 1 4 0 49 326.371 5 ↓

Analogs

26105913
26105913
29263356
29263356
37980296
37980296
37980297
37980297
37980305
37980305

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Popular Name: 4-[[cyclopropyl-(4-fluorobenzoyl)amino]methyl]-N-methyl-benzamide 4-[[cyclopropyl-(4-fluorobenzoyl…

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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) 2.03 7.7 -14.21 1 4 0 49 326.371 5 ↓

Analogs

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Popular Name: 4-[[cyclopropyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N-methyl-benzamide 4-[[cyclopropyl-[4-(2-methoxyeth…

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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) 0.92 3.91 -20.11 2 8 0 105 445.541 10 ↓

Analogs

24865915
24865915
12912937
12912937
12755617
12755617

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Popular Name: N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-4-methoxy-3-nitro-benzamide N-[(4-carbamoylphenyl)methyl]-N-…

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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) 1.43 7.04 -23.09 2 8 0 118 369.377 7 ↓

Analogs

26106033
26106033
26106140
26106140
26106528
26106528
29263374
29263374

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Popular Name: 4-[[(3-chlorobenzoyl)-cyclopropyl-amino]methyl]-N-methyl-benzamide 4-[[(3-chlorobenzoyl)-cyclopropy…

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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) 2.52 8.29 -15.09 1 4 0 49 342.826 5 ↓

Analogs

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Popular Name: 2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-methylsulfanyl-benzamide 2-chloro-N-cyclopropyl-N-[[4-(me…

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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) 2.90 9.61 -15.03 1 4 0 49 388.92 6 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-4-dimethylamino-3-nitro-benzamide N-cyclopropyl-N-[[4-(difluoromet…

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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) 2.86 10.3 -17.83 0 8 0 88 435.427 9 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-4-methylamino-3-nitro-benzamide N-cyclopropyl-N-[[4-(difluoromet…

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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) 2.62 8.41 -16.59 1 8 0 97 421.4 9 ↓

Analogs

26103975
26103975
26106256
26106256
43499310
43499310
8164086
8164086
8164583
8164583

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Popular Name: N-cyclopropyl-3-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide N-cyclopropyl-3-ethoxy-4-methoxy…

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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) 2.75 8.94 -11.48 0 5 0 48 355.434 8 ↓

Analogs

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Popular Name: N-cyclopropyl-3-(ethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide N-cyclopropyl-3-(ethylsulfamoyl)…

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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) 2.15 5.8 -15.58 1 6 0 76 388.489 8 ↓

Analogs

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Popular Name: 2-chloro-N-cyclopropyl-5-(isopropylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide 2-chloro-N-cyclopropyl-5-(isopro…

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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) 3.07 7.16 -16.64 1 6 0 76 436.961 8 ↓

Analogs

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Popular Name: 2-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-5-sulfamoyl-benzamide 2-bromo-N-cyclopropyl-N-[(4-meth…

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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) 2.16 5.02 -14.46 2 6 0 90 439.331 6 ↓

Analogs

26106025
26106025
26106604
26106604

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Popular Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]terephthalamide N-cyclopropyl-N-[(4-methoxypheny…

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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) 1.54 5.43 -16.81 2 5 0 73 324.38 6 ↓

Analogs

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Popular Name: 4-chloro-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-nitro-benzamide 4-chloro-N-cyclopropyl-N-[(2-met…

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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) 3.24 11.03 -10.88 0 6 0 75 360.797 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-(methylsulfamoyl)benzamide N-[(1S)-1-(2-chlorophenyl)ethyl]…

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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) 2.93 6.13 -15.86 1 5 0 66 392.908 6 ↓

Analogs

34949090
34949090
37991748
37991748

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Popular Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,5-dimethoxy-benzamide N-cyclopropyl-N-[(4-fluorophenyl…

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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) 2.87 8.17 -10.28 0 4 0 39 329.371 6 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-4-(isopropylsulfamoyl)benzamide N-cyclopropyl-N-[[4-(difluoromet…

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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) 2.61 6.65 -16.71 1 7 0 85 468.522 10 ↓

Analogs

26103975
26103975
26106251
26106251

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Popular Name: N-cyclopropyl-4-isobutoxy-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide N-cyclopropyl-4-isobutoxy-3-meth…

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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) 3.49 10.29 -10.86 0 5 0 48 383.488 9 ↓

Analogs

26520848
26520848

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Popular Name: 4-(2-amino-2-oxo-ethoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide 4-(2-amino-2-oxo-ethoxy)-N-cyclo…

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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) 1.51 6.08 -16.83 2 6 0 82 354.406 8 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(S)-methylsulfinyl]benzamide N-[(1S)-1-(4-chlorophenyl)ethyl]…

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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) 2.75 9.16 -15.92 0 3 0 37 361.894 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(S)-methylsulfinyl]benzamide N-[(1R)-1-(4-chlorophenyl)ethyl]…

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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) 2.75 9.01 -15.55 0 3 0 37 361.894 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(R)-methylsulfinyl]benzamide N-[(1S)-1-(4-chlorophenyl)ethyl]…

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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) 2.75 9.16 -24.17 0 3 0 37 361.894 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(R)-methylsulfinyl]benzamide N-[(1R)-1-(4-chlorophenyl)ethyl]…

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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) 2.75 9.01 -21.68 0 3 0 37 361.894 5 ↓

Analogs

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Popular Name: 3-(2-amino-2-oxo-ethoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-benzamide 3-(2-amino-2-oxo-ethoxy)-N-[(1R)…

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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) 2.67 7.83 -22.35 2 5 0 73 372.852 7 ↓

Analogs

55678212
55678212

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Popular Name: 3-acetamido-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide 3-acetamido-N-cyclopropyl-N-[(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) 1.87 7.82 -19.53 1 5 0 59 338.407 6 ↓

Parameters Provided:

ring.id = 15850
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 = 15850 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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