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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-(2,2-dimethoxyethyl)-N,2-dimethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide N-(2,2-dimethoxyethyl)-N,2-dimet…

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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) 1.38 2.28 -22.07 1 8 0 102 367.427 7 ↓
Hi High (pH 8-9.5) 1.83 1.46 -58.74 0 8 -1 105 366.419 7 ↓

Analogs

35315681
35315681

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Popular Name: 2-[3-(3-chlorophenyl)-6-oxo-pyridazin-1-yl]-N-(3-methoxypropyl)acetamide 2-[3-(3-chlorophenyl)-6-oxo-pyri…

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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) 1.83 5.04 -17.36 1 6 0 73 335.791 7 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-(2-cyanoethyl)-2-(6-oxo-3-phen…

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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) 0.37 5.21 -22.95 1 6 0 88 282.303 5 ↓

Analogs

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Popular Name: N-(isobutylcarbamoyl)-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-(isobutylcarbamoyl)-2-(6-oxo-3…

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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) 1.69 6.46 -25 2 7 0 93 328.372 5 ↓

Analogs

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Popular Name: N-(ethylcarbamoyl)-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-(ethylcarbamoyl)-2-(6-oxo-3-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) 0.94 4.94 -25.51 2 7 0 93 300.318 4 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-N-methyl-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-(2-cyanoethyl)-N-methyl-2-(6-o…

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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) 0.62 7.27 -19.76 0 6 0 79 296.33 5 ↓

Analogs

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Popular Name: 2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]-N-sec-butyl-acetamide 2-[6-oxo-3-phenyl-5-(trifluorome…

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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) 2.95 7.49 -17.47 1 5 0 64 353.344 6 ↓

Analogs

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Popular Name: 2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]-N-sec-butyl-acetamide 2-[6-oxo-3-phenyl-5-(trifluorome…

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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) 2.95 7.49 -17.48 1 5 0 64 353.344 6 ↓

Analogs

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Popular Name: [2-(6-oxo-1H-pyridazin-3-yl)phenyl] [2-(6-oxo-1H-pyridazin-3-yl)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) 1.25 5.05 -14.64 1 5 0 72 230.223 3 ↓
Mid Mid (pH 6-8) 1.70 3.2 -53.98 0 5 -1 75 229.215 3 ↓

Analogs

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Popular Name: (6Z)-6-(4-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyridazin-3-one (6Z)-6-(4-fluoro-6-oxo-cyclohexa…

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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) 1.62 1.16 -11.17 2 4 0 66 206.176 1 ↓
Mid Mid (pH 6-8) 2.07 -0.69 -47.38 1 4 -1 69 205.168 1 ↓

Analogs

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Popular Name: [5-fluoro-2-(6-oxo-1H-pyridazin-3-yl)phenyl] [5-fluoro-2-(6-oxo-1H-pyridazin-…

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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) 1.39 5.12 -14.63 1 5 0 72 248.213 3 ↓
Mid Mid (pH 6-8) 1.84 3.27 -50.4 0 5 -1 75 247.205 3 ↓

Analogs

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Popular Name: [4-bromo-2-(6-oxo-1H-pyridazin-3-yl)phenyl] [4-bromo-2-(6-oxo-1H-pyridazin-3…

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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 5.67 -12.3 1 5 0 72 309.119 3 ↓
Mid Mid (pH 6-8) 2.49 3.82 -49.5 0 5 -1 75 308.111 3 ↓

Analogs

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Popular Name: [(1S)-1-[[4-(dimethylamino)-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1S)-1-[[4-(dimethylamino)-2-(6…

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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) 1.70 7.13 -15.57 1 8 0 102 373.409 9 ↓
Mid Mid (pH 6-8) 2.16 5.28 -52.64 0 8 -1 105 372.401 9 ↓
Lo Low (pH 4.5-6) 1.70 7.87 -49.31 2 8 0 103 374.417 9 ↓

Analogs

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Popular Name: [(1R)-1-[[4-(dimethylamino)-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1R)-1-[[4-(dimethylamino)-2-(6…

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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) 1.70 7.09 -15.22 1 8 0 102 373.409 9 ↓
Mid Mid (pH 6-8) 2.16 5.24 -52.82 0 8 -1 105 372.401 9 ↓
Lo Low (pH 4.5-6) 1.70 7.87 -48.07 2 8 0 103 374.417 9 ↓

Analogs

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Popular Name: 3-[2-[(2R)-3-(tert-butylamino)-2-hydroxy-propoxy]-4-methyl-phenyl]-1H-pyridazin-6-one 3-[2-[(2R)-3-(tert-butylamino)-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) 2.50 3.64 -45.22 4 6 1 92 332.424 7 ↓
Mid Mid (pH 6-8) 2.96 1.78 -69.51 3 6 0 95 331.416 7 ↓

Analogs

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Popular Name: 3-[2-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-4-methyl-phenyl]-1H-pyridazin-6-one 3-[2-[(2S)-3-(tert-butylamino)-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) 2.50 3.66 -45.16 4 6 1 92 332.424 7 ↓
Mid Mid (pH 6-8) 2.96 1.82 -69.49 3 6 0 95 331.416 7 ↓

Analogs

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Popular Name: ethyl 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) 2.15 8.96 -18.38 1 9 0 125 402.403 11 ↓
Mid Mid (pH 6-8) 2.61 7.1 -62.84 0 9 -1 128 401.395 11 ↓

Analogs

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Popular Name: ethyl 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) 2.15 9.46 -21.56 1 9 0 125 402.403 11 ↓
Mid Mid (pH 6-8) 2.61 7.77 -69.83 0 9 -1 128 401.395 11 ↓

Analogs

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Popular Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-oxo-1H-pyridazin-3-yl)benzonitrile 4-[(2S)-3-(tert-butylamino)-2-hy…

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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) 1.81 3.4 -52.55 4 7 1 116 343.407 7 ↓
Mid Mid (pH 6-8) 2.27 1.56 -72.51 3 7 0 119 342.399 7 ↓

Analogs

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Popular Name: 4-[(2R)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-oxo-1H-pyridazin-3-yl)benzonitrile 4-[(2R)-3-(tert-butylamino)-2-hy…

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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) 1.81 3.38 -52.59 4 7 1 116 343.407 7 ↓
Mid Mid (pH 6-8) 2.27 1.54 -72.51 3 7 0 119 342.399 7 ↓

Analogs

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Popular Name: [(1S)-1-[[4-chloro-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1S)-1-[[4-chloro-2-(6-oxo-1H-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) 2.28 7.22 -13.97 1 7 0 98 364.785 8 ↓
Mid Mid (pH 6-8) 2.74 5.38 -49.38 0 7 -1 101 363.777 8 ↓

Analogs

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Popular Name: [(1R)-1-[[4-chloro-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1R)-1-[[4-chloro-2-(6-oxo-1H-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) 2.28 7.22 -14.16 1 7 0 98 364.785 8 ↓
Mid Mid (pH 6-8) 2.74 5.38 -48.79 0 7 -1 101 363.777 8 ↓

Analogs

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Popular Name: [(1S)-3-oxo-1-[[2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]butyl] [(1S)-3-oxo-1-[[2-(6-oxo-1H-pyri…

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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) 1.63 6.7 -15.32 1 7 0 98 330.34 8 ↓
Mid Mid (pH 6-8) 2.08 6.18 -69.42 0 7 -1 101 329.332 8 ↓

Analogs

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Popular Name: [(1R)-3-oxo-1-[[2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]butyl] [(1R)-3-oxo-1-[[2-(6-oxo-1H-pyri…

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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) 1.63 6.7 -15.51 1 7 0 98 330.34 8 ↓
Mid Mid (pH 6-8) 2.08 5.47 -63.99 0 7 -1 101 329.332 8 ↓

Analogs

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Popular Name: [(1R)-1-[[5-methyl-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1R)-1-[[5-methyl-2-(6-oxo-1H-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) 2.05 8.05 -18.25 1 7 0 98 344.367 8 ↓
Mid Mid (pH 6-8) 2.51 6.2 -64.52 0 7 -1 101 343.359 8 ↓

Analogs

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Popular Name: [(1S)-1-[[5-methyl-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1S)-1-[[5-methyl-2-(6-oxo-1H-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) 2.05 8.55 -20.1 1 7 0 98 344.367 8 ↓
Mid Mid (pH 6-8) 2.51 6.85 -69.28 0 7 -1 101 343.359 8 ↓

Analogs

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Popular Name: N-[4-[(2R)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide N-[4-[(2R)-3-(tert-butylamino)-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) 1.27 1.85 -49.86 5 8 1 121 375.449 8 ↓
Mid Mid (pH 6-8) 1.73 0.02 -71.03 4 8 0 124 374.441 8 ↓

Analogs

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Popular Name: N-[4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide N-[4-[(2S)-3-(tert-butylamino)-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) 1.27 1.88 -49.88 5 8 1 121 375.449 8 ↓
Mid Mid (pH 6-8) 1.73 0.05 -70.99 4 8 0 124 374.441 8 ↓

Analogs

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Popular Name: [(1S)-1-[[4-amino-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1S)-1-[[4-amino-2-(6-oxo-1H-py…

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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) 0.68 4.58 -15.47 3 8 0 124 345.355 8 ↓
Mid Mid (pH 6-8) 1.14 2.74 -53.3 2 8 -1 127 344.347 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-[[4-amino-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1R)-1-[[4-amino-2-(6-oxo-1H-py…

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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) 0.68 4.58 -15.68 3 8 0 124 345.355 8 ↓
Mid Mid (pH 6-8) 1.14 2.73 -52.64 2 8 -1 127 344.347 8 ↓

Analogs

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Popular Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-oxo-1H-pyridazin-3-yl)benzoic 4-[(2S)-3-(tert-butylamino)-2-hy…

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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) 1.96 3.56 -75.91 4 8 0 132 361.398 8 ↓
Mid Mid (pH 6-8) 2.42 1.71 -111.08 3 8 -1 135 360.39 8 ↓

Analogs

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Popular Name: 4-[(2R)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-oxo-1H-pyridazin-3-yl)benzoic 4-[(2R)-3-(tert-butylamino)-2-hy…

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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) 1.96 3.54 -75.95 4 8 0 132 361.398 8 ↓
Mid Mid (pH 6-8) 2.42 1.69 -111.05 3 8 -1 135 360.39 8 ↓

Analogs

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Popular Name: ethyl 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) 2.60 4.55 -51.17 4 8 1 118 390.46 10 ↓
Mid Mid (pH 6-8) 3.06 2.71 -73.72 3 8 0 121 389.452 10 ↓

Analogs

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Popular Name: ethyl 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) 2.60 4.59 -51.09 4 8 1 118 390.46 10 ↓
Mid Mid (pH 6-8) 3.06 2.74 -73.6 3 8 0 121 389.452 10 ↓

Analogs

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Popular Name: [(1S)-1-[[4-cyano-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1S)-1-[[4-cyano-2-(6-oxo-1H-py…

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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) 1.36 7.12 -17.22 1 8 0 122 355.35 8 ↓
Mid Mid (pH 6-8) 1.82 6.6 -68.1 0 8 -1 125 354.342 8 ↓

Analogs

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Popular Name: [(1R)-1-[[4-cyano-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1R)-1-[[4-cyano-2-(6-oxo-1H-py…

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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) 1.36 7.11 -17.47 1 8 0 122 355.35 8 ↓
Mid Mid (pH 6-8) 1.82 5.87 -61.28 0 8 -1 125 354.342 8 ↓

Analogs

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Popular Name: [4-acetamido-2-acetyl-6-(6-oxo-1H-pyridazin-3-yl)phenyl] [4-acetamido-2-acetyl-6-(6-oxo-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) 0.27 5.21 -23.66 2 8 0 118 329.312 5 ↓
Mid Mid (pH 6-8) 0.72 3.33 -60.86 1 8 -1 121 328.304 5 ↓

Analogs

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Popular Name: [(1R)-1-[[4-methyl-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1R)-1-[[4-methyl-2-(6-oxo-1H-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) 2.05 7.37 -15.07 1 7 0 98 344.367 8 ↓
Mid Mid (pH 6-8) 2.51 5.52 -51.84 0 7 -1 101 343.359 8 ↓

Analogs

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Popular Name: [(1S)-1-[[4-methyl-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1S)-1-[[4-methyl-2-(6-oxo-1H-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) 2.05 7.37 -15.07 1 7 0 98 344.367 8 ↓
Mid Mid (pH 6-8) 2.51 5.52 -52.5 0 7 -1 101 343.359 8 ↓

Analogs

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Popular Name: [2-acetyl-4-methyl-6-(6-oxo-1H-pyridazin-3-yl)-3-propoxy-phenyl] [2-acetyl-4-methyl-6-(6-oxo-1H-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) 2.36 7.49 -18.99 1 7 0 98 344.367 7 ↓
Mid Mid (pH 6-8) 2.82 5.7 -54.34 0 7 -1 101 343.359 7 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-[2-(6-oxo-1H-pyridazin-3-yl)phenoxy]ethyl] [(1S)-1-methyl-2-[2-(6-oxo-1H-py…

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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) 2.19 6.04 -14.01 1 6 0 81 288.303 6 ↓
Mid Mid (pH 6-8) 2.64 4.2 -55.72 0 6 -1 84 287.295 6 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-[2-(6-oxo-1H-pyridazin-3-yl)phenoxy]ethyl] [(1R)-1-methyl-2-[2-(6-oxo-1H-py…

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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) 2.19 6.04 -14.01 1 6 0 81 288.303 6 ↓
Mid Mid (pH 6-8) 2.64 4.2 -55.93 0 6 -1 84 287.295 6 ↓

Analogs

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Popular Name: [2-[4-acetamido-N-tert-butyl-2-(6-oxo-1H-pyridazin-3-yl)anilino]-2-oxo-ethyl] [2-[4-acetamido-N-tert-butyl-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) 1.57 7.38 -21.6 2 9 0 121 400.435 7 ↓
Mid Mid (pH 6-8) 2.03 5.54 -61.01 1 9 -1 125 399.427 7 ↓

Analogs

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Popular Name: 5-chloro-2-ethyl-6-phenyl-3(2H)-pyridazinone 5-chloro-2-ethyl-6-phenyl-3(2H)-…

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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) 2.79 1.1 -5.96 0 3 0 35 234.686 2 ↓

Analogs

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Popular Name: 4-(4-acetyl-5-amino-6-oxo-3-phenyl-pyridazin-1-yl)butanoic 4-(4-acetyl-5-amino-6-oxo-3-phen…

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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) 0.84 4.84 -53.42 2 7 -1 118 314.321 6 ↓

Analogs

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Popular Name: N-[3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propyl]ethanesulfonamide N-[3-[6-oxo-3-(p-tolyl)pyridazin…

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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) 2.07 4.57 -16.56 1 6 0 81 335.429 7 ↓

Analogs

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Popular Name: 6-(4-chloro-3-nitro-phenyl)-5-methyl-pyridazin-3-ol 6-(4-chloro-3-nitro-phenyl)-5-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) 2.68 -2.48 -19.45 1 6 0 91 265.656 2 ↓

Analogs

34342682
34342682
34468518
34468518

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Popular Name: F1967-0342 F1967-0342

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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) 2.17 3.81 -10.06 1 4 0 55 216.24 3 ↓

Analogs

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Popular Name: 6-(3-bromo-4-methoxy-phenyl)-2H-pyridazin-3-one 6-(3-bromo-4-methoxy-phenyl)-2H-…

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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) 2.54 3.56 -9.44 1 4 0 55 281.109 2 ↓

Analogs

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Popular Name: 6-(4-hydroxyphenyl)-2H-pyridazin-3-one 6-(4-hydroxyphenyl)-2H-pyridazin…

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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) 1.26 0.73 -10.4 2 4 0 66 188.186 1 ↓
Mid Mid (pH 6-8) 1.72 -1.1 -48.33 1 4 -1 69 187.178 1 ↓

Parameters Provided:

ring.id = 32824
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 = 32824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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