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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chlorophenyl)methyl]-1-(2-dimethylaminoethyl)-3-(4-pyridylmethyl)urea 1-[(4-chlorophenyl)methyl]-1-(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) 2.76 9.45 -52.6 2 5 1 50 347.87 7 ↓
Lo Low (pH 4.5-6) 2.76 9.9 -105.29 3 5 2 51 348.878 7 ↓

Analogs

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Popular Name: 1-[(3-chlorophenyl)methyl]-1-(2-dimethylaminoethyl)-3-(4-pyridylmethyl)urea 1-[(3-chlorophenyl)methyl]-1-(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) 2.74 9.44 -54.2 2 5 1 50 347.87 7 ↓
Lo Low (pH 4.5-6) 2.74 9.89 -106.36 3 5 2 51 348.878 7 ↓

Analogs

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Popular Name: 1-(2-dimethylaminoethyl)-1-[(3-fluorophenyl)methyl]-3-(4-pyridylmethyl)urea 1-(2-dimethylaminoethyl)-1-[(3-f…

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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) 2.22 9 -55.75 2 5 1 50 331.415 7 ↓
Lo Low (pH 4.5-6) 2.22 9.46 -108.27 3 5 2 51 332.423 7 ↓

Analogs

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Popular Name: 1-[(3,4-difluorophenyl)methyl]-1-(2-dimethylaminoethyl)-3-(4-pyridylmethyl)urea 1-[(3,4-difluorophenyl)methyl]-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) 2.34 9.05 -59.61 2 5 1 50 349.405 7 ↓
Lo Low (pH 4.5-6) 2.34 9.51 -112.34 3 5 2 51 350.413 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-chlorophenyl)methyl]-1-(2-dimethylaminoethyl)-3-[(2-methoxy-4-pyridyl)methyl]urea 1-[(3-chlorophenyl)methyl]-1-(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) 3.13 7.92 -53.61 2 6 1 59 377.896 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 1.15 7.01 -14.97 2 6 0 80 392.253 7 ↓
Lo Low (pH 4.5-6) 1.15 6.65 -48.66 3 6 1 82 393.261 7 ↓

Analogs

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Popular Name: 1-allyl-1-[(4-methoxyphenyl)methyl]-3-(4-pyridylmethyl)urea 1-allyl-1-[(4-methoxyphenyl)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) 2.75 7.49 -10.23 1 5 0 54 311.385 7 ↓
Lo Low (pH 4.5-6) 2.75 7.95 -42.92 2 5 1 56 312.393 7 ↓

Analogs

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Popular Name: 1-allyl-3-[[2-(dimethylamino)-4-pyridyl]methyl]-1-[(4-methoxyphenyl)methyl]urea 1-allyl-3-[[2-(dimethylamino)-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) 3.20 9.42 -36.97 2 6 1 59 355.462 8 ↓
Mid Mid (pH 6-8) 3.20 8.99 -11.74 1 6 0 58 354.454 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(dimethylamino)-3-fluoro-phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridyl]methyl]urea 1-[[4-(dimethylamino)-3-fluoro-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 7.1 -37.32 3 6 1 62 346.43 6 ↓
Mid Mid (pH 6-8) 1.89 6.74 -10.76 2 6 0 60 345.422 6 ↓

Analogs

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Popular Name: 1-allyl-1-[(3-nitrophenyl)methyl]-3-[(1S)-1-(4-pyridyl)ethyl]urea 1-allyl-1-[(3-nitrophenyl)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) 3.19 9.74 -10.63 1 7 0 91 340.383 7 ↓
Lo Low (pH 4.5-6) 3.19 10.2 -43.81 2 7 1 92 341.391 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-1-[(3-nitrophenyl)methyl]-3-[(1R)-1-(4-pyridyl)ethyl]urea 1-allyl-1-[(3-nitrophenyl)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) 3.19 9.73 -10.6 1 7 0 91 340.383 7 ↓
Lo Low (pH 4.5-6) 3.19 10.19 -43.94 2 7 1 92 341.391 7 ↓

Analogs

45702076
45702076

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Popular Name: 1-(2-dimethylaminoethyl)-1-(m-tolylmethyl)-3-(4-pyridylmethyl)urea 1-(2-dimethylaminoethyl)-1-(m-to…

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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) 2.51 9.58 -50.81 2 5 1 50 327.452 7 ↓
Lo Low (pH 4.5-6) 2.51 10.05 -103.42 3 5 2 51 328.46 7 ↓

Analogs

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Popular Name: 1-[[3-(tert-butoxymethyl)phenyl]methyl]-3-(4-pyridylmethyl)urea 1-[[3-(tert-butoxymethyl)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) 2.37 6.05 -9.32 2 5 0 63 327.428 7 ↓
Lo Low (pH 4.5-6) 2.37 6.51 -40.83 3 5 1 64 328.436 7 ↓

Analogs

43185587
43185587
43185589
43185589

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-chlorophenyl)methyl]-1-isopropyl-3-[(1S)-1-(4-pyridyl)ethyl]urea 1-[(3-chlorophenyl)methyl]-1-iso…

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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 10.16 -8.81 1 4 0 45 331.847 5 ↓
Lo Low (pH 4.5-6) 3.94 10.61 -41.36 2 4 1 46 332.855 5 ↓

Analogs

43185587
43185587
43185589
43185589

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-chlorophenyl)methyl]-1-isopropyl-3-[(1R)-1-(4-pyridyl)ethyl]urea 1-[(3-chlorophenyl)methyl]-1-iso…

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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 10.16 -8.72 1 4 0 45 331.847 5 ↓
Lo Low (pH 4.5-6) 3.94 10.62 -41.54 2 4 1 46 332.855 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-methoxy-3,5-dimethyl-phenyl)methyl]-1-methyl-3-(4-pyridylmethyl)urea 1-[(4-methoxy-3,5-dimethyl-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 7.34 -11.13 1 5 0 54 313.401 5 ↓
Lo Low (pH 4.5-6) 2.86 7.8 -42.94 2 5 1 56 314.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(diethylamino)-3-fluoro-phenyl]methyl]-3-[(1S)-1-(4-pyridyl)ethyl]urea 1-[[4-(diethylamino)-3-fluoro-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 7.8 -10.04 2 5 0 57 344.434 7 ↓
Lo Low (pH 4.5-6) 2.76 7.59 -41.18 3 5 1 58 345.442 7 ↓
Lo Low (pH 4.5-6) 2.76 8.05 -82.9 4 5 2 60 346.45 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(diethylamino)-3-fluoro-phenyl]methyl]-3-[(1R)-1-(4-pyridyl)ethyl]urea 1-[[4-(diethylamino)-3-fluoro-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 7.8 -9.8 2 5 0 57 344.434 7 ↓
Lo Low (pH 4.5-6) 2.76 7.58 -40.9 3 5 1 58 345.442 7 ↓
Lo Low (pH 4.5-6) 2.76 8.04 -83.4 4 5 2 60 346.45 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-(2,2-difluoroethoxy)phenyl]methyl]-1-methyl-1-(4-pyridylmethyl)urea 3-[[3-(2,2-difluoroethoxy)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) 2.66 7.19 -15.76 1 5 0 54 335.354 7 ↓
Lo Low (pH 4.5-6) 2.66 7.64 -42.61 2 5 1 56 336.362 7 ↓

Analogs

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Popular Name: 1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(4-pyridylmethyl)urea 1-[[4-(2-methoxyethylamino)pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.10 2.92 -10.01 3 6 0 75 314.389 8 ↓
Lo Low (pH 4.5-6) 1.10 3.37 -41.45 4 6 1 77 315.397 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[2-(dimethylamino)-4-pyridyl]methyl]-3-[(4-ethoxy-3-fluoro-phenyl)methyl]urea 1-[[2-(dimethylamino)-4-pyridyl]…

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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) 2.22 6.45 -38.85 3 6 1 68 347.414 7 ↓
Mid Mid (pH 6-8) 2.22 6.18 -12.3 2 6 0 66 346.406 7 ↓

Analogs

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Popular Name: 1-[(3,5-dimethoxyphenyl)methyl]-3-[[2-(dimethylamino)-4-pyridyl]methyl]urea 1-[(3,5-dimethoxyphenyl)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) 1.74 4.77 -36.79 3 7 1 77 345.423 7 ↓
Mid Mid (pH 6-8) 1.74 4.43 -11.4 2 7 0 76 344.415 7 ↓

Analogs

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Popular Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-3-(4-pyridylmethyl)urea 1-[(3-chloro-4-fluoro-phenyl)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) 2.03 4.79 -10.05 2 4 0 54 293.729 4 ↓
Lo Low (pH 4.5-6) 2.03 5.25 -42.87 3 4 1 55 294.737 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-(4-pyridylmethyl)urea 1-[[3-(2,2-difluoroethoxy)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) 1.86 4.77 -14.25 2 5 0 63 321.327 7 ↓
Lo Low (pH 4.5-6) 1.86 5.23 -45.6 3 5 1 64 322.335 7 ↓

Analogs

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Popular Name: 1-[(1S)-2-hydroxy-1-phenyl-ethyl]-3-(4-pyridylmethyl)urea 1-[(1S)-2-hydroxy-1-phenyl-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) 0.81 1.92 -9.25 3 5 0 74 271.32 5 ↓
Lo Low (pH 4.5-6) 0.81 2.38 -41.01 4 5 1 75 272.328 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-cyanophenyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridyl]methyl]urea 1-[(3-cyanophenyl)methyl]-3-[[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) 2.31 4.49 -13.85 2 6 0 87 364.327 7 ↓

Analogs

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Popular Name: 1-[(3-nitrophenyl)methyl]-3-[(1S)-1-(4-pyridyl)ethyl]urea 1-[(3-nitrophenyl)methyl]-3-[(1S…

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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) 1.75 5.8 -14 2 7 0 100 300.318 5 ↓
Lo Low (pH 4.5-6) 1.75 6.26 -47.49 3 7 1 101 301.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-nitrophenyl)methyl]-3-[(1R)-1-(4-pyridyl)ethyl]urea 1-[(3-nitrophenyl)methyl]-3-[(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) 1.75 5.8 -14.36 2 7 0 100 300.318 5 ↓
Lo Low (pH 4.5-6) 1.75 6.25 -46.74 3 7 1 101 301.326 5 ↓

Parameters Provided:

ring.id = 71162
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 = 71162 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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