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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[2-[benzyl(methyl)amino]ethyl]-2-methyl-3-nitro-benzamide N-[2-[benzyl(methyl)amino]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) 2.87 9.68 -57.33 2 6 1 79 328.392 7 ↓
Hi High (pH 8-9.5) 2.87 7.35 -14.66 1 6 0 78 327.384 7 ↓

Analogs

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Popular Name: N-[2-[benzyl(methyl)amino]ethyl]-2,3,4-trimethoxy-benzamide N-[2-[benzyl(methyl)amino]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) 2.94 8.77 -54.09 2 6 1 61 359.446 9 ↓
Hi High (pH 8-9.5) 2.94 6.45 -14.93 1 6 0 60 358.438 9 ↓

Analogs

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Popular Name: N-[2-[benzyl(methyl)amino]ethyl]-2-(trifluoromethyl)benzamide N-[2-[benzyl(methyl)amino]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) 3.41 9.53 -51.35 2 3 1 34 337.365 7 ↓
Hi High (pH 8-9.5) 3.41 7.21 -13.83 1 3 0 32 336.357 7 ↓

Analogs

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Popular Name: N-[2-[[3-(difluoromethoxy)phenyl]methylamino]ethyl]-3-fluoro-4-methyl-benzamide N-[2-[[3-(difluoromethoxy)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) 3.44 6.99 -56.12 3 4 1 55 353.364 8 ↓
Hi High (pH 8-9.5) 3.44 5.63 -11.69 2 4 0 50 352.356 8 ↓

Analogs

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Popular Name: N-[2-[[4-methoxy-3-(2-methylallyloxy)phenyl]methylamino]ethyl]-3-methyl-benzamide N-[2-[[4-methoxy-3-(2-methylally…

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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) 3.58 8.85 -60.65 3 5 1 64 369.485 10 ↓
Hi High (pH 8-9.5) 3.58 7.49 -14.42 2 5 0 60 368.477 10 ↓

Analogs

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Popular Name: N-[2-[[3-(difluoromethoxy)phenyl]methylamino]ethyl]-3-methyl-benzamide N-[2-[[3-(difluoromethoxy)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) 3.33 6.95 -57.52 3 4 1 55 335.374 8 ↓
Hi High (pH 8-9.5) 3.33 5.6 -13.52 2 4 0 50 334.366 8 ↓

Analogs

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Popular Name: 2-fluoro-N-[2-[[4-methoxy-3-(2-methylallyloxy)phenyl]methylamino]ethyl]benzamide 2-fluoro-N-[2-[[4-methoxy-3-(2-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) 3.27 8.24 -64.79 3 5 1 64 373.448 10 ↓
Hi High (pH 8-9.5) 3.27 6.9 -18.22 2 5 0 60 372.44 10 ↓

Analogs

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Popular Name: N-[2-[[3-(difluoromethoxy)phenyl]methylamino]ethyl]-2-fluoro-benzamide N-[2-[[3-(difluoromethoxy)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) 3.02 6.36 -61.64 3 4 1 55 339.337 8 ↓
Hi High (pH 8-9.5) 3.02 5.01 -17.44 2 4 0 50 338.329 8 ↓

Analogs

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Popular Name: N-[2-[[4-methoxy-3-(2-methylallyloxy)phenyl]methylamino]ethyl]-4-methyl-benzamide N-[2-[[4-methoxy-3-(2-methylally…

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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) 3.60 8.86 -60.57 3 5 1 64 369.485 10 ↓
Hi High (pH 8-9.5) 3.60 7.5 -14.17 2 5 0 60 368.477 10 ↓

Analogs

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Popular Name: N-[2-[[3-(difluoromethoxy)phenyl]methylamino]ethyl]-4-methyl-benzamide N-[2-[[3-(difluoromethoxy)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) 3.35 6.96 -57.42 3 4 1 55 335.374 8 ↓
Hi High (pH 8-9.5) 3.35 5.61 -13.28 2 4 0 50 334.366 8 ↓

Analogs

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Popular Name: 4-fluoro-N-[2-[[4-methoxy-3-(2-methylallyloxy)phenyl]methylamino]ethyl]benzamide 4-fluoro-N-[2-[[4-methoxy-3-(2-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) 3.32 8.24 -62.54 3 5 1 64 373.448 10 ↓
Hi High (pH 8-9.5) 3.32 6.88 -13.64 2 5 0 60 372.44 10 ↓

Analogs

55626149
55626149
55626156
55626156

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Popular Name: N-[2-[[3-(difluoromethoxy)phenyl]methylamino]ethyl]-4-fluoro-benzamide N-[2-[[3-(difluoromethoxy)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) 3.07 6.36 -59.34 3 4 1 55 339.337 8 ↓
Hi High (pH 8-9.5) 3.07 5 -12.9 2 4 0 50 338.329 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[4-methoxy-3-(2-methylallyloxy)phenyl]methylamino]ethyl]benzamide N-[2-[[4-methoxy-3-(2-methylally…

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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) 3.15 8.18 -60.53 3 5 1 64 355.458 10 ↓
Hi High (pH 8-9.5) 3.15 6.82 -14.16 2 5 0 60 354.45 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[3-(difluoromethoxy)phenyl]methylamino]ethyl]benzamide N-[2-[[3-(difluoromethoxy)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) 2.90 6.29 -57.45 3 4 1 55 321.347 8 ↓
Hi High (pH 8-9.5) 2.90 4.93 -13.41 2 4 0 50 320.339 8 ↓

Parameters Provided:

ring.id = 48106
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 = 48106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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