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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(2-chlorophenyl)methylsulfanyl]-6-(3-nitrophenyl)-pyridazine 3-[(2-chlorophenyl)methylsulfany…

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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) 5.18 1.43 -17.52 0 5 0 71 357.822 5 ↓

Analogs

36716369
36716369
36716372
36716372
36716373
36716373

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Popular Name: 3-(3-nitrophenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(3-nitrophenyl)-6-[(3-nitrophe…

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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) 4.48 2.11 -20.92 0 8 0 117 368.374 6 ↓

Analogs

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Popular Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(3-nitrophenyl)-pyridazine 3-[(2,5-dimethylphenyl)methylsul…

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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) 5.37 2.2 -16.59 0 5 0 71 351.431 5 ↓

Analogs

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Popular Name: 3-(4-ethoxyphenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(4-ethoxyphenyl)-6-[(3-nitroph…

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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) 4.98 1.63 -14.01 0 6 0 80 367.43 7 ↓

Analogs

36716357
36716357
36716535
36716535
36716553
36716553
10132326
10132326

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Popular Name: 3-[(3-nitrophenyl)methylsulfanyl]-6-(p-tolyl)pyridazine 3-[(3-nitrophenyl)methylsulfanyl…

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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) 5.00 1.91 -12.92 0 5 0 71 337.404 5 ↓

Analogs

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Popular Name: 3-[(2-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)-pyridazine 3-[(2-chlorophenyl)methylsulfany…

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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) 5.25 1.21 -12.29 0 3 0 35 342.851 5 ↓

Analogs

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Popular Name: 3-(2-methoxyphenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(2-methoxyphenyl)-6-[(3-nitrop…

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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 1.88 -15.37 0 6 0 80 353.403 6 ↓

Analogs

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Popular Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(2-methoxyphenyl)-pyridazine 3-[(2,5-dimethylphenyl)methylsul…

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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) 5.45 1.97 -11.29 0 3 0 35 336.46 5 ↓

Analogs

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Popular Name: 3-(4-ethylphenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(4-ethylphenyl)-6-[(3-nitrophe…

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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) 5.46 2.06 -12.72 0 5 0 71 351.431 6 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(4-bromophenyl)-6-[(3-nitrophe…

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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) 5.36 0.83 -12.58 0 5 0 71 402.273 5 ↓

Analogs

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Popular Name: 3-[(2-chlorophenyl)methylsulfanyl]-6-(4-fluorophenyl)-pyridazine 3-[(2-chlorophenyl)methylsulfany…

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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) 5.41 1.65 -9.51 0 2 0 25 330.815 4 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(4-fluorophenyl)-6-[(3-nitroph…

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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) 4.71 2.33 -13.12 0 5 0 71 341.367 5 ↓

Analogs

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Popular Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-fluorophenyl)-pyridazine 3-[(2,5-dimethylphenyl)methylsul…

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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) 5.60 2.42 -8.6 0 2 0 25 324.424 4 ↓

Analogs

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Popular Name: 3-[(2-chlorophenyl)methylsulfanyl]-6-(3-methoxyphenyl)-pyridazine 3-[(2-chlorophenyl)methylsulfany…

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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) 5.27 0.93 -12.55 0 3 0 35 342.851 5 ↓

Analogs

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Popular Name: 3-(3-methoxyphenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(3-methoxyphenyl)-6-[(3-nitrop…

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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) 4.58 1.61 -15.79 0 6 0 80 353.403 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(3-methoxyphenyl)-pyridazine 3-[(2,5-dimethylphenyl)methylsul…

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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) 5.47 1.7 -11.57 0 3 0 35 336.46 5 ↓

Analogs

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Popular Name: 3-(4-nitrophenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine 3-(4-nitrophenyl)-6-[[4-(trifluo…

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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) 5.47 3.75 -12.1 0 5 0 71 391.374 6 ↓

Analogs

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Popular Name: 3-[(2-chlorophenyl)methylsulfanyl]-6-(4-nitrophenyl)-pyridazine 3-[(2-chlorophenyl)methylsulfany…

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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) 5.20 1.43 -12.35 0 5 0 71 357.822 5 ↓

Analogs

36716535
36716535
36716553
36716553

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Popular Name: 3-(4-nitrophenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(4-nitrophenyl)-6-[(3-nitrophe…

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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) 4.51 2.11 -16.33 0 8 0 117 368.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-nitrophenyl)-pyridazine 3-[(2,5-dimethylphenyl)methylsul…

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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) 5.40 2.2 -11.5 0 5 0 71 351.431 5 ↓

Analogs

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Popular Name: 3-(3,4-dimethylphenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(3,4-dimethylphenyl)-6-[(3-nit…

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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) 5.37 2.13 -13.18 0 5 0 71 351.431 5 ↓

Analogs

10505820
10505820

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Popular Name: 3-(2,4-dimethylphenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(2,4-dimethylphenyl)-6-[(3-nit…

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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) 5.37 2.14 -11.94 0 5 0 71 351.431 5 ↓

Analogs

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Popular Name: 3-(2,4-dimethoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine 3-(2,4-dimethoxyphenyl)-6-[[4-(t…

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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) 5.55 3.55 -12.24 0 4 0 44 406.429 7 ↓

Analogs

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Popular Name: 3-[(2-chlorophenyl)methylsulfanyl]-6-(2,4-dimethoxyphenyl)-pyridazine 3-[(2-chlorophenyl)methylsulfany…

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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) 5.28 1.23 -13.25 0 4 0 44 372.877 6 ↓

Analogs

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Popular Name: 3-(2,4-dimethoxyphenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(2,4-dimethoxyphenyl)-6-[(3-ni…

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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) 4.59 1.91 -16.4 0 7 0 90 383.429 7 ↓

Analogs

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Popular Name: 3-(2,4-dimethoxyphenyl)-6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazine 3-(2,4-dimethoxyphenyl)-6-[(2,5-…

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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) 5.48 2 -12.3 0 4 0 44 366.486 6 ↓

Analogs

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Popular Name: 3-(2,5-dimethoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine 3-(2,5-dimethoxyphenyl)-6-[[4-(t…

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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) 5.55 3.53 -10.9 0 4 0 44 406.429 7 ↓

Analogs

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Popular Name: 3-[(2-chlorophenyl)methylsulfanyl]-6-(2,5-dimethoxyphenyl)-pyridazine 3-[(2-chlorophenyl)methylsulfany…

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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) 5.28 1.21 -11.8 0 4 0 44 372.877 6 ↓

Analogs

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Popular Name: 3-(2,5-dimethoxyphenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(2,5-dimethoxyphenyl)-6-[(3-ni…

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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) 4.59 1.88 -15.05 0 7 0 90 383.429 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dimethoxyphenyl)-6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazine 3-(2,5-dimethoxyphenyl)-6-[(2,5-…

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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) 5.48 1.98 -10.84 0 4 0 44 366.486 6 ↓

Analogs

36716438
36716438
36716479
36716479

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Popular Name: 3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-6-(3,4,5-trimethoxyphenyl)-pyridazine 3-[[4-(trifluoromethyl)phenyl]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) 5.14 4.02 -12.75 0 5 0 53 436.455 8 ↓

Analogs

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Popular Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(3,4,5-trimethoxyphenyl)-pyridazine 3-[(3,4-dichlorophenyl)methylsul…

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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) 5.53 1.57 -12.59 0 5 0 53 437.348 7 ↓

Analogs

36716477
36716477

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Popular Name: 3-[(2-chlorophenyl)methylsulfanyl]-6-(3,4,5-trimethoxyphenyl)-pyridazine 3-[(2-chlorophenyl)methylsulfany…

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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) 4.87 1.7 -13.04 0 5 0 53 402.903 7 ↓

Analogs

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Popular Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-6-(3,4,5-trimethoxyphenyl)-pyridazine 3-[(2,4-dichlorophenyl)methylsul…

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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) 5.53 1.55 -12.36 0 5 0 53 437.348 7 ↓

Analogs

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Popular Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(3,4,5-trimethoxyphenyl)-pyridazine 3-[(2,5-dimethylphenyl)methylsul…

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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) 5.07 2.47 -12.29 0 5 0 53 396.512 7 ↓

Analogs

36716438
36716438
36716479
36716479

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Popular Name: 3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-6-(3,4,5-trimethoxyphenyl)-pyridazine 3-[[3-(trifluoromethyl)phenyl]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) 5.11 4.03 -13.16 0 5 0 53 436.455 8 ↓

Analogs

36716535
36716535
36716553
36716553
10505459
10505459

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Popular Name: 3-[(3-nitrophenyl)methylsulfanyl]-6-(o-tolyl)pyridazine 3-[(3-nitrophenyl)methylsulfanyl…

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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) 4.95 1.81 -12.05 0 5 0 71 337.404 5 ↓

Analogs

36716535
36716535

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Popular Name: 3-(2,5-dimethylphenyl)-6-[(3-nitrophenyl)methylsulfanyl]pyridazine 3-(2,5-dimethylphenyl)-6-[(3-nit…

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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) 5.37 2.3 -12.05 0 5 0 71 351.431 5 ↓

Analogs

10505974
10505974
36716450
36716450
36716451
36716451
36716607
36716607
36716635
36716635

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Popular Name: 3-benzylsulfanyl-6-(4-nitrophenyl)-pyridazine 3-benzylsulfanyl-6-(4-nitropheny…

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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 1.59 -11.5 0 5 0 71 323.377 5 ↓

Analogs

36716450
36716450
36716451
36716451
36716635
36716635

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Popular Name: 3-(m-tolylmethylsulfanyl)-6-(4-nitrophenyl)-pyridazine 3-(m-tolylmethylsulfanyl)-6-(4-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) 5.00 1.91 -11.51 0 5 0 71 337.404 5 ↓

Analogs

36716572
36716572

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Popular Name: 3-[(3-fluorophenyl)methylsulfanyl]-6-(4-nitrophenyl)-pyridazine 3-[(3-fluorophenyl)methylsulfany…

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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) 4.71 2.33 -12.27 0 5 0 71 341.367 5 ↓

Analogs

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Popular Name: 3-[(2-fluorophenyl)methylsulfanyl]-6-(4-nitrophenyl)-pyridazine 3-[(2-fluorophenyl)methylsulfany…

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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) 4.69 2.29 -13.11 0 5 0 71 341.367 5 ↓

Analogs

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Popular Name: 3-[(4-fluorophenyl)methylsulfanyl]-6-(4-nitrophenyl)-pyridazine 3-[(4-fluorophenyl)methylsulfany…

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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) 4.73 2.33 -11.89 0 5 0 71 341.367 5 ↓

Analogs

36716450
36716450
36716451
36716451
36716607
36716607
36716635
36716635
7596237
7596237

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Popular Name: 3-(4-nitrophenyl)-6-(p-tolylmethylsulfanyl)pyridazine 3-(4-nitrophenyl)-6-(p-tolylmeth…

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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) 5.02 1.91 -11.52 0 5 0 71 337.404 5 ↓

Analogs

36716450
36716450

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Popular Name: 3-(4-nitrophenyl)-6-(o-tolylmethylsulfanyl)pyridazine 3-(4-nitrophenyl)-6-(o-tolylmeth…

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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) 4.97 1.84 -11.5 0 5 0 71 337.404 5 ↓

Analogs

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Popular Name: 3-[(3-chlorophenyl)methylsulfanyl]-6-(4-nitrophenyl)-pyridazine 3-[(3-chlorophenyl)methylsulfany…

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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) 5.22 1.44 -11.69 0 5 0 71 357.822 5 ↓

Analogs

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Popular Name: 3-[(4-chlorophenyl)methylsulfanyl]-6-(4-nitrophenyl)-pyridazine 3-[(4-chlorophenyl)methylsulfany…

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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) 5.25 1.44 -11.39 0 5 0 71 357.822 5 ↓

Analogs

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Popular Name: 3-[(4-bromophenyl)methylsulfanyl]-6-(4-nitrophenyl)-pyridazine 3-[(4-bromophenyl)methylsulfanyl…

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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) 5.38 0.83 -11.3 0 5 0 71 402.273 5 ↓

Analogs

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Popular Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-(4-nitrophenyl)-pyridazine 3-[(2-chloro-6-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) 5.32 2.13 -13.3 0 5 0 71 375.812 5 ↓

Analogs

36716557
36716557

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Popular Name: 3-benzylsulfanyl-6-(3,4-dimethylphenyl)-pyridazine 3-benzylsulfanyl-6-(3,4-dimethyl…

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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) 5.44 1.61 -8.84 0 2 0 25 306.434 4 ↓

Parameters Provided:

ring.id = 8988
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 = 8988 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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