UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1223028
1223028

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dichlorophenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide N-(2,5-dichlorophenyl)-2-[4-phen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.60 11.08 -9.3 1 4 0 55 458.292 6 ↓

Analogs

26477174
26477174
26477182
26477182

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-nitro-phenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide N-(2-chloro-4-nitro-phenyl)-2-[4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.88 11.17 -10.7 1 7 0 101 468.844 7 ↓

Analogs

1223028
1223028

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dichlorophenyl)-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide N-(2,3-dichlorophenyl)-2-[4-(4-f…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.74 11.1 -8.78 1 4 0 55 476.282 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,6-difluoro-phenyl)-2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetam N-(2-bromo-4,6-difluoro-phenyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.47 10.89 -10.31 1 4 0 55 522.268 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-5-cyano-6-(3-methoxyphenyl)pyrimidin-4-olate 2-[[2-(4-acetylanilino)-2-keto-e…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.37 -47.81 1 8 -1 128 433.469 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]thio]acetamide N-(3-chloro-4-fluoro-phenyl)-2-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 -0.73 -14.98 1 5 0 64 403.866 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-[[4-[3-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]acetamide N-(2,4-dichlorophenyl)-2-[[4-[3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.84 9.6 -14.7 1 5 0 64 456.301 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[3-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]-N-(2,4-dimethylphenyl)acetamide 2-[[4-[3-(difluoromethoxy)phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.38 0.55 -17.9 1 5 0 64 415.465 7 ↓

Analogs

2808812
2808812

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[3-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]-N-(2,5-dimethylphenyl)acetamide 2-[[4-[3-(difluoromethoxy)phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.38 0.55 -17.95 1 5 0 64 415.465 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]acetamide N-(3-chloro-4-fluoro-phenyl)-2-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.35 9.02 -15.24 1 5 0 64 439.846 7 ↓

Analogs

4967852
4967852
4967917
4967917
39230916
39230916
39260290
39260290

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]-N-(2,3,5,6-tetrafluorophenyl)acetamide 2-[[4-(4-fluorophenyl)pyrimidin-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.28 -14.52 1 4 0 55 411.355 5 ↓

Analogs

4967917
4967917
39230916
39230916
39260290
39260290

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]-N-(2,3,4,5,6-pentafluorophenyl)acetamide 2-[[4-(4-fluorophenyl)pyrimidin-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.66 9.35 -13.46 1 4 0 55 429.345 5 ↓

Analogs

2791153
2791153

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]-N-(2,3,5,6-tetrafluorophenyl)acetamide 2-[[4-[4-(difluoromethoxy)phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 8.8 -15.89 1 5 0 64 459.371 7 ↓

Analogs

2792062
2792062
39259907
39259907
39261042
39261042

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[4-[4-(difluoromethoxy)phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.55 8.24 -15.28 1 6 0 73 471.407 9 ↓

Analogs

2791024
2791024

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]-N-(2,3,4,5,6-pentafluorophenyl)acetamide 2-[[4-[4-(difluoromethoxy)phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 8.86 -14.84 1 5 0 64 477.361 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]acetamide N-(4-bromo-2-fluoro-phenyl)-2-[[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.19 -12.94 1 5 0 64 484.297 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dichlorophenyl)-2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]acetamide N-(2,6-dichlorophenyl)-2-[[4-(4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.39 -0.48 -14.42 1 4 0 54 408.285 5 ↓

Analogs

2792024
2792024
39261042
39261042

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[4-(4-fluorophenyl)pyrimidin-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.10 8.72 -13.9 1 5 0 64 423.391 7 ↓

Analogs

5154824
5154824

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]-N-(3-nitrophenyl)acetamide 2-[[4-(4-fluorophenyl)pyrimidin-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.06 9.61 -22.94 1 7 0 101 384.392 6 ↓

Analogs

39261042
39261042
2791626
2791626

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)phenyl]-2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)phenyl]-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.74 0.4 -16.28 1 5 0 64 405.401 7 ↓

Analogs

39259907
39259907
39260876
39260876
39261042
39261042
2791113
2791113

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)phenyl]-2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)phenyl]-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.19 8.03 -17.69 1 6 0 73 453.417 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)-3-methoxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 8.41 -19.29 1 6 0 73 435.427 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]acetam N-[4-(difluoromethoxy)-3-methoxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.78 7.93 -20.67 1 7 0 83 483.443 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]acetamide N-(5-chloro-2-methyl-phenyl)-2-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.18 -0.19 -15.53 1 4 0 54 387.867 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]acetamide N-[3-chloro-4-(difluoromethoxy)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.35 9.06 -16.59 1 5 0 64 439.846 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]acetamid N-[3-chloro-4-(difluoromethoxy)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.80 8.58 -18.01 1 6 0 73 487.862 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-K76577563-001-01-8 BRD-K76577563-001-01-8

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.11 0.26 -13.44 1 5 0 78 360.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dichlorophenyl)-2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]acetamide N-(2,6-dichlorophenyl)-2-[[4-[4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.84 9.84 -15.91 1 5 0 64 456.301 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]-N-(3-nitrophenyl)acetamide 2-[[4-[4-(difluoromethoxy)phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.51 0.2 -24.28 1 8 0 109 432.408 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)-2-methyl-phenyl]-2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)-2-methyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.36 -18.05 1 5 0 64 419.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)-2-methyl-phenyl]-2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]acetami N-[4-(difluoromethoxy)-2-methyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.57 8.88 -19.52 1 6 0 73 467.444 9 ↓

Analogs

39259910
39259910

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)-3-ethoxy-phenyl]-2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)-3-ethoxy-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.71 9.34 -19 1 6 0 73 449.454 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]acetamide N-(5-chloro-2-methyl-phenyl)-2-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.63 9.82 -16.93 1 5 0 64 435.883 7 ↓

Analogs

2798557
2798557

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide (2S)-N-(4-chlorophenyl)-2-[[4-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.36 11.32 -10.39 1 4 0 55 437.874 6 ↓

Analogs

2798556
2798556

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide (2R)-N-(4-chlorophenyl)-2-[[4-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.36 1.2 -10.23 1 4 0 54 437.874 6 ↓

Analogs

2798563
2798563

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanamide N-(2,3-dimethylphenyl)-2-{[4-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.48 2.12 -10.65 1 4 0 54 431.483 6 ↓

Analogs

2798562
2798562

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanamide N-(2,3-dimethylphenyl)-2-{[4-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.48 12.22 -10.58 1 4 0 55 431.483 6 ↓

Analogs

2798567
2798567

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanamide N-(2,4-dichlorophenyl)-2-{[4-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.96 1.22 -7.64 1 4 0 54 472.319 6 ↓

Analogs

2798566
2798566

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanamide N-(2,4-dichlorophenyl)-2-{[4-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.96 1.22 -7.75 1 4 0 54 472.319 6 ↓

Analogs

2798622
2798622

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanamide N-(4-bromophenyl)-2-{[4-phenyl-6…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.49 0.58 -10.34 1 4 0 54 482.325 6 ↓

Analogs

2798621
2798621

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanamide N-(4-bromophenyl)-2-{[4-phenyl-6…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.49 0.59 -10.11 1 4 0 54 482.325 6 ↓

Analogs

2798640
2798640
2799963
2799963
2799964
2799964

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanamide N-(2,4-dimethylphenyl)-2-{[4-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.50 2.21 -10.55 1 4 0 54 431.483 6 ↓

Analogs

2799963
2799963
2799964
2799964
2798639
2798639

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanamide N-(2,4-dimethylphenyl)-2-{[4-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.50 2.22 -10.45 1 4 0 54 431.483 6 ↓

Analogs

2798667
2798667

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]propanamide 2-{[4-phenyl-6-(trifluoromethyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.55 3.53 -9.59 1 4 0 54 471.426 7 ↓

Analogs

2798666
2798666

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]propanamide 2-{[4-phenyl-6-(trifluoromethyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.55 3.53 -9.67 1 4 0 54 471.426 7 ↓

Analogs

890703
890703

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(3,4,5-trimethoxyphenyl)acetamide 2-[[4-(4-methoxyphenyl)-6-(trifl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.00 1.55 -16.39 1 8 0 91 509.506 10 ↓

Analogs

2798807
2798807

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chloro-4-fluoro-phenyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide (2S)-N-(3-chloro-4-fluoro-phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.45 1.93 -12.84 1 4 0 54 455.864 6 ↓

Analogs

2798806
2798806

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chloro-4-fluoro-phenyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide (2R)-N-(3-chloro-4-fluoro-phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.45 1.92 -12.52 1 4 0 54 455.864 6 ↓

Analogs

2798812
2798812

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl 4-[(2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanoyl)amino]benzoate isopropyl 4-[(2-{[4-phenyl-6-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.59 13.03 -14.44 1 6 0 81 489.519 9 ↓

Analogs

2798811
2798811

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl 4-[(2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanoyl)amino]benzoate isopropyl 4-[(2-{[4-phenyl-6-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.59 13.02 -14.66 1 6 0 81 489.519 9 ↓

Parameters Provided:

ring.id = 70120
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 = 70120 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=70120&filter.purchasability=annotated

Embed Link to Results