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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: benzamide, 3-[[(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(2-bromo-4-chloro…

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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 12.02 -27.74 1 5 0 59 487.781 7 ↓

Analogs

14561358
14561358

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Popular Name: benzamide, 3-[[(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(4-chloro-3,5-dim…

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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 12.49 -26.4 1 5 0 59 436.939 7 ↓

Analogs

14561356
14561356

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Popular Name: benzamide, 3-[[(4-chloro-3-methylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(4-chloro-3-methy…

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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 11.97 -25.77 1 5 0 59 422.912 7 ↓

Analogs

14561362
14561362

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Popular Name: benzamide, N-methyl-3-[[[2-(1-methylpropyl)phenoxy]acetyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[[2-(1-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) 4.47 13.49 -25.96 1 5 0 59 430.548 9 ↓

Analogs

14561360
14561360

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Popular Name: benzamide, N-methyl-3-[[[2-(1-methylpropyl)phenoxy]acetyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[[2-(1-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) 4.47 13.49 -25.96 1 5 0 59 430.548 9 ↓

Analogs

14561700
14561700

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Popular Name: benzamide, N-methyl-3-[[[2-(1-methylethyl)phenoxy]acetyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[[2-(1-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) 4.13 12.84 -26.01 1 5 0 59 416.521 8 ↓

Analogs

14561435
14561435

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Popular Name: benzamide, 3-[[(3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(3,5-dimethylphen…

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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 12.2 -26.58 1 5 0 59 402.494 7 ↓

Analogs

14561437
14561437

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Popular Name: benzamide, 3-[[(2,6-dimethylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(2,6-dimethylphen…

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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) 3.94 12.33 -24.59 1 5 0 59 402.494 7 ↓

Analogs

14561601
14561601

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Popular Name: benzamide, N-methyl-3-[[[4-(1-methylethyl)phenoxy]acetyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[[4-(1-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) 4.65 12.79 -26.01 1 5 0 59 416.521 8 ↓

Analogs

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Popular Name: benzamide, 3-[[(2,4-dimethylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(2,4-dimethylphen…

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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 12.25 -25.91 1 5 0 59 402.494 7 ↓

Analogs

14561492
14561492
6663650
6663650

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Popular Name: benzamide, N-methyl-3-[(phenoxyacetyl)amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[(phenoxya…

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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) 3.14 10.83 -17.5 1 5 0 59 374.44 7 ↓

Analogs

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Popular Name: benzamide, 3-[[(2,4-dichlorophenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(2,4-dichlorophen…

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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) 4.42 11.91 -28.06 1 5 0 59 443.33 7 ↓

Analogs

16568038
16568038
4213301
4213301
4371022
4371022

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Popular Name: benzamide, 3-[[(4-chlorophenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(4-chlorophenoxy)…

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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) 3.82 11.39 -25.61 1 5 0 59 408.885 7 ↓

Analogs

6663650
6663650

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Popular Name: benzamide, N-methyl-3-[[(4-methylphenoxy)acetyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[(4-methy…

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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) 3.59 11.54 -26.37 1 5 0 59 388.467 7 ↓

Analogs

6663650
6663650
14561370
14561370

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Popular Name: benzamide, N-methyl-3-[[(3-methylphenoxy)acetyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[(3-methy…

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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) 3.56 11.54 -26.61 1 5 0 59 388.467 7 ↓

Analogs

14561372
14561372

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Popular Name: benzamide, N-methyl-3-[[(2-methylphenoxy)acetyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[(2-methy…

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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) 3.54 11.58 -26.01 1 5 0 59 388.467 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[(4-chloro-2-methylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(4-chloro-2-methy…

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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 12.09 -25.25 1 5 0 59 422.912 7 ↓

Analogs

14561454
14561454

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Popular Name: benzamide, 3-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]amino]-N-methyl-N-(phenylmethyl)- 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) 4.79 12.54 -27.71 1 5 0 59 457.357 7 ↓

Analogs

14561452
14561452

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Popular Name: benzamide, 3-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]amino]-N-methyl-N-(phenylmethyl)- 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) 4.79 12.43 -25.32 1 5 0 59 457.357 7 ↓

Analogs

25456712
25456712

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Popular Name: benzamide, 3-[[(2-bromo-4-methylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(2-bromo-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) 4.33 12.18 -28.46 1 5 0 59 467.363 7 ↓

Analogs

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Popular Name: benzamide, 3-[[(2-methoxyphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(2-methoxyphenoxy…

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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 10.62 -30.51 1 6 0 68 404.466 8 ↓

Analogs

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Popular Name: benzamide, 3-[[(4-bromophenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(4-bromophenoxy)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) 3.95 11.49 -25.53 1 5 0 59 453.336 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-methyl-3-[[(4-nitrophenoxy)acetyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[(4-nitro…

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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 11.49 -29.6 1 8 0 104 419.437 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-methyl-3-[[[5-methyl-2-(1-methylethyl)phenoxy]acetyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[[5-methy…

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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) 4.56 13.5 -25.87 1 5 0 59 430.548 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[(4-bromo-3-methylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(4-bromo-3-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) 4.33 12.06 -25.69 1 5 0 59 467.363 7 ↓

Analogs

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Popular Name: benzamide, 3-[[(2,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(2,5-dimethylphen…

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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 12.25 -25.97 1 5 0 59 402.494 7 ↓

Analogs

14561494
14561494

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Popular Name: benzamide, 3-[[(4-bromo-2-methylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(4-bromo-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) 4.33 12.2 -25.17 1 5 0 59 467.363 7 ↓

Analogs

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Popular Name: benzamide, 3-[[(4-ethylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(4-ethylphenoxy)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) 4.05 12.31 -26.13 1 5 0 59 402.494 8 ↓

Analogs

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Popular Name: benzamide, 3-[[(2-chlorophenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(2-chlorophenoxy)…

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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 11.4 -29 1 5 0 59 408.885 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[(2-bromo-4-ethylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(2-bromo-4-ethylp…

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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) 4.79 12.95 -28.28 1 5 0 59 481.39 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[(4-bromo-2-chlorophenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(4-bromo-2-chloro…

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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 12.02 -27.9 1 5 0 59 487.781 7 ↓

Analogs

6663650
6663650
14561415
14561415

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Popular Name: benzamide, 3-[[(4-methoxyphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(4-methoxyphenoxy…

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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) 3.20 10.15 -27.45 1 6 0 68 404.466 8 ↓

Analogs

14561474
14561474

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Popular Name: benzamide, 3-[[(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(4-bromo-2,6-dime…

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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) 4.70 12.94 -23.36 1 5 0 59 481.39 7 ↓

Analogs

14561506
14561506

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Popular Name: benzamide, N-methyl-3-[[2-(4-methylphenoxy)-1-oxopropyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[2-(4-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) 3.95 12.21 -26.76 1 5 0 59 402.494 7 ↓

Analogs

14561503
14561503

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Popular Name: benzamide, N-methyl-3-[[2-(4-methylphenoxy)-1-oxopropyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[2-(4-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) 3.95 12.07 -24.06 1 5 0 59 402.494 7 ↓

Analogs

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Popular Name: benzamide, 3-[[(3,4-dimethylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(3,4-dimethylphen…

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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 12.08 -26.71 1 5 0 59 402.494 7 ↓

Analogs

14561511
14561511

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Popular Name: benzamide, N-methyl-3-[[2-(3-methylphenoxy)-1-oxopropyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[2-(3-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) 3.93 12.14 -23.71 1 5 0 59 402.494 7 ↓

Analogs

14561509
14561509

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Popular Name: benzamide, N-methyl-3-[[2-(3-methylphenoxy)-1-oxopropyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[2-(3-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) 3.93 12.14 -26.99 1 5 0 59 402.494 7 ↓

Analogs

14561515
14561515
14561649
14561649
14561651
14561651

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Popular Name: benzamide, N-methyl-3-[[2-(2-methylphenoxy)-1-oxopropyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[2-(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) 3.90 12.17 -23.2 1 5 0 59 402.494 7 ↓

Analogs

14561649
14561649
14561651
14561651
14561513
14561513

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Popular Name: benzamide, N-methyl-3-[[2-(2-methylphenoxy)-1-oxopropyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[2-(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) 3.90 12.18 -26.31 1 5 0 59 402.494 7 ↓

Analogs

14561519
14561519

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Popular Name: benzamide, N-methyl-3-[[2-(2-methylphenoxy)-1-oxobutyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[2-(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) 4.41 12.71 -23.62 1 5 0 59 416.521 8 ↓

Analogs

14561517
14561517

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Popular Name: benzamide, N-methyl-3-[[2-(2-methylphenoxy)-1-oxobutyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[2-(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) 4.41 12.72 -26.09 1 5 0 59 416.521 8 ↓

Analogs

14561527
14561527
14561530
14561530
14561533
14561533

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-methyl-3-[(1-oxo-2-phenoxypropyl)amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[(1-oxo-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) 3.50 11.53 -26.85 1 5 0 59 388.467 7 ↓

Analogs

14561530
14561530
14561533
14561533
14561525
14561525

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-methyl-3-[(1-oxo-2-phenoxypropyl)amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[(1-oxo-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) 3.50 11.39 -24.15 1 5 0 59 388.467 7 ↓

Analogs

14561533
14561533
14561525
14561525
14561527
14561527

Draw Identity 99% 90% 80% 70%

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

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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) 3.56 10.81 -27.14 1 6 0 68 418.493 8 ↓

Analogs

14561525
14561525
14561527
14561527
14561530
14561530

Draw Identity 99% 90% 80% 70%

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

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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) 3.56 10.67 -24.57 1 6 0 68 418.493 8 ↓

Analogs

14561537
14561537

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[2-(2-methoxyphenoxy)-1-oxopropyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[2-(2-methoxypheno…

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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) 3.12 11.29 -29.98 1 6 0 68 418.493 8 ↓

Analogs

14561535
14561535

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[2-(2-methoxyphenoxy)-1-oxopropyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[2-(2-methoxypheno…

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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) 3.12 11.21 -30.89 1 6 0 68 418.493 8 ↓

Analogs

14561541
14561541

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[2-(4-chlorophenoxy)-1-oxopropyl]amino]-N-methyl-N-(phenylmethyl)- 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) 4.18 12.04 -25.69 1 5 0 59 422.912 7 ↓

Analogs

14561539
14561539

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[2-(4-chlorophenoxy)-1-oxopropyl]amino]-N-methyl-N-(phenylmethyl)- 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) 4.18 11.91 -23.22 1 5 0 59 422.912 7 ↓

Parameters Provided:

ring.id = 247528
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 = 247528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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