UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9577840
9577840

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Popular Name: N-tert-butyl-1-(2-fluorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide N-tert-butyl-1-(2-fluorophenyl)-…

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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) 2.38 7.6 -20.65 1 5 0 64 303.337 3 ↓

Analogs

4218357
4218357

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Popular Name: 1-(5-bromo-2-fluoro-phenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(5-bromo-2-fluoro-phenyl)-6-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) 2.57 8.12 -64.93 0 5 -1 75 326.101 2 ↓
Lo Low (pH 4.5-6) 2.57 7.33 -30.68 1 5 0 78 327.109 2 ↓

Analogs

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Popular Name: N-(2-diethylaminoethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide N-(2-diethylaminoethyl)-6-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) 2.71 10.29 -50.46 2 6 1 68 397.421 8 ↓
Hi High (pH 8-9.5) 2.71 8.1 -22.05 1 6 0 67 396.413 8 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide N-(2-acetamidoethyl)-6-methyl-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) 1.10 5.6 -26.73 2 7 0 93 382.342 6 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-1-(2-fluorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide N-(2-acetamidoethyl)-1-(2-fluoro…

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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) 0.34 4.74 -26.69 2 7 0 93 332.335 5 ↓

Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid 1-(3,4-dimethoxyphenyl)-4-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) 0.89 6.19 -68 0 7 -1 93 275.24 4 ↓
Mid Mid (pH 6-8) -2.18 4.25 -50.59 1 7 0 96 276.248 4 ↓

Analogs

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Popular Name: 1-[3-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydropyridazine-3-carboxylic acid 1-[3-(methylsulfanyl)phenyl]-4-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) 1.65 8.01 -71 0 5 -1 75 261.282 3 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid 1-(3,4-difluorophenyl)-4-oxo-1,4…

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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) 1.49 7.11 -59.06 0 5 -1 75 251.168 2 ↓
Mid Mid (pH 6-8) -1.57 5.16 -53.76 1 5 0 77 252.176 2 ↓

Analogs

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Popular Name: 6-methyl-4-oxo-1-(p-tolyl)pyridazine-3-carboxamide 6-methyl-4-oxo-1-(p-tolyl)pyrida…

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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 4.67 -17.8 2 5 0 78 243.266 2 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-N-(3-isobutoxypropyl)-6-methyl-4-oxo-pyridazine-3-carboxamide 1-(2-fluorophenyl)-N-(3-isobutox…

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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) 2.57 8.79 -19.69 1 6 0 73 361.417 8 ↓

Analogs

42926165
42926165

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Popular Name: N-butyl-N-ethyl-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-butyl-N-ethyl-6-methyl-4-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) 2.93 11.36 -19.75 0 5 0 55 313.401 6 ↓

Analogs

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Popular Name: 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide 6-methyl-4-oxo-1-[2-(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) 1.55 5.16 -20.84 2 5 0 78 297.236 3 ↓

Analogs

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Popular Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide 6-methyl-1-(2-nitrophenyl)-4-oxo…

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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) 1.92 7.8 -23.96 1 8 0 110 356.26 5 ↓

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) 1.83 8.04 -17.6 0 5 0 61 262.24 4 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N,6-dimethyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-(2-amino-2-oxo-ethyl)-N,6-dime…

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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) -0.15 5.07 -26.91 2 7 0 98 300.318 4 ↓

Analogs

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Popular Name: 6-methyl-N-[2-[methyl-[(1R)-1-methylpropyl]amino]ethyl]-4-oxo-1-phenyl-pyridazine-3-carboxamide 6-methyl-N-[2-[methyl-[(1R)-1-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) 2.11 9.41 -47.16 2 6 1 68 343.451 7 ↓

Analogs

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Popular Name: 6-methyl-N-[2-[methyl-[(1S)-1-methylpropyl]amino]ethyl]-4-oxo-1-phenyl-pyridazine-3-carboxamide 6-methyl-N-[2-[methyl-[(1S)-1-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) 2.11 9.39 -47.16 2 6 1 68 343.451 7 ↓

Analogs

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Popular Name: N,N-diallyl-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N,N-diallyl-6-methyl-4-oxo-1-phe…

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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) 2.40 10.72 -19.48 0 5 0 55 309.369 6 ↓

Analogs

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Popular Name: 1-(3-cyanophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid 1-(3-cyanophenyl)-4-oxo-1,4-dihy…

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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) 0.97 7.37 -63.09 0 6 -1 99 240.198 2 ↓

Analogs

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Popular Name: 6-ethoxy-4-oxo-1-phenyl-pyridazine-3-carboxylic 6-ethoxy-4-oxo-1-phenyl-pyridazi…

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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) 1.58 6.96 -61.35 0 6 -1 84 259.241 4 ↓

Analogs

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Popular Name: 6-ethoxy-4-oxo-1-(p-tolyl)pyridazine-3-carboxylic 6-ethoxy-4-oxo-1-(p-tolyl)pyrida…

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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 7.64 -60.97 0 6 -1 84 273.268 4 ↓

Analogs

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Popular Name: 4-oxo-6-propoxy-1-(p-tolyl)pyridazine-3-carboxylic 4-oxo-6-propoxy-1-(p-tolyl)pyrid…

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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 8.44 -60.33 0 6 -1 84 287.295 5 ↓

Analogs

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Popular Name: 6-methoxy-1-(4-methoxyphenyl)-4-oxo-pyridazine-3-carboxylic 6-methoxy-1-(4-methoxyphenyl)-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) 1.26 5.35 -60.64 0 7 -1 93 275.24 4 ↓
Mid Mid (pH 6-8) -1.59 3.42 -37.9 1 7 0 96 276.248 4 ↓

Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxo-pyridazine-3-carboxylic 1-(3,4-dimethoxyphenyl)-6-methox…

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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) 1.07 5.25 -62.48 0 8 -1 103 305.266 5 ↓
Mid Mid (pH 6-8) -2.00 3.33 -41.11 1 8 0 105 306.274 5 ↓

Analogs

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Popular Name: 1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxo-pyridazine-3-carboxylic 1-(3,5-dimethoxyphenyl)-6-methox…

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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) 1.67 4.65 -63.21 0 8 -1 103 305.266 5 ↓

Analogs

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Popular Name: 1-(3-fluorophenyl)-6-methoxy-4-oxo-pyridazine-3-carboxylic 1-(3-fluorophenyl)-6-methoxy-4-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) 1.56 6.1 -62.46 0 6 -1 84 263.204 3 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-6-methoxy-4-oxo-1,4-dihydropyridazine-3-carboxylic acid 1-(4-fluorophenyl)-6-methoxy-4-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) 1.37 6.11 -58.39 0 6 -1 84 263.204 3 ↓

Analogs

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Popular Name: 6-ethoxy-1-(4-fluorophenyl)-4-oxo-pyridazine-3-carboxylic 6-ethoxy-1-(4-fluorophenyl)-4-ox…

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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 7.04 -57.6 0 6 -1 84 277.231 4 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-6-methoxy-4-oxo-pyridazine-3-carboxylic 1-(3,4-difluorophenyl)-6-methoxy…

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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) 1.68 6.16 -59.38 0 6 -1 84 281.194 3 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-pyridazine-3-carboxylic 1-(3,4-difluorophenyl)-6-ethoxy-…

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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 7.08 -58.45 0 6 -1 84 295.221 4 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-6-methoxy-N-(2-methoxyethyl)-4-oxo-pyridazine-3-carboxamide 1-(3,4-difluorophenyl)-6-methoxy…

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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) 1.28 4.26 -17.16 1 7 0 82 339.298 6 ↓

Analogs

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Popular Name: 2-hydroxyethyl 2-hydroxyethyl

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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) 1.11 5.34 -21.47 1 6 0 81 292.266 5 ↓

Analogs

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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) 2.22 8.08 -16.25 1 7 0 90 363.801 5 ↓

Analogs

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Popular Name: 6-methyl-4-oxo-1-(p-tolyl)pyridazine-3-carboxylic 6-methyl-4-oxo-1-(p-tolyl)pyrida…

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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 7.98 -66.18 0 5 -1 75 243.242 2 ↓
Lo Low (pH 4.5-6) 1.70 7.17 -31.17 1 5 0 78 244.25 2 ↓

Analogs

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Popular Name: 1-(5-chloro-2-methyl-phenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(5-chloro-2-methyl-phenyl)-6-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.73 8.7 -62.95 0 5 -1 75 277.687 2 ↓
Lo Low (pH 4.5-6) 2.73 7.87 -28.88 1 5 0 78 278.695 2 ↓

Analogs

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Popular Name: 1-(3-isopropylphenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(3-isopropylphenyl)-6-methyl-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) 2.95 9.22 -64.96 0 5 -1 75 271.296 3 ↓
Lo Low (pH 4.5-6) 2.95 8.41 -30.24 1 5 0 78 272.304 3 ↓

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(2,3-dimethylphenyl)-6-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) 2.26 8.74 -66.71 0 5 -1 75 257.269 2 ↓

Analogs

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Popular Name: 1-(4-tert-butylphenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(4-tert-butylphenyl)-6-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) 2.96 9.63 -65.26 0 5 -1 75 285.323 3 ↓
Lo Low (pH 4.5-6) 2.96 8.81 -30.74 1 5 0 78 286.331 3 ↓

Analogs

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Popular Name: 6-methyl-4-oxo-1-(2,3,4-trifluorophenyl)pyridazine-3-carboxylic 6-methyl-4-oxo-1-(2,3,4-trifluor…

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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 7.62 -65.52 0 5 -1 75 283.185 2 ↓
Lo Low (pH 4.5-6) 1.81 6.8 -34.56 1 5 0 78 284.193 2 ↓

Analogs

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Popular Name: 1-(4-ethylphenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(4-ethylphenyl)-6-methyl-4-oxo…

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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) 2.16 8.73 -65.92 0 5 -1 75 257.269 3 ↓

Analogs

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Popular Name: 1-(3-fluoro-4-methyl-phenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(3-fluoro-4-methyl-phenyl)-6-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 8.01 -62.12 0 5 -1 75 261.232 2 ↓
Lo Low (pH 4.5-6) 2.00 7.21 -29.15 1 5 0 78 262.24 2 ↓

Analogs

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Popular Name: 1-(3-chloro-2-methyl-phenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(3-chloro-2-methyl-phenyl)-6-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 8.62 -63.99 0 5 -1 75 277.687 2 ↓
Lo Low (pH 4.5-6) 2.49 7.8 -30.29 1 5 0 78 278.695 2 ↓

Analogs

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Popular Name: 1-(4-isopropylphenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(4-isopropylphenyl)-6-methyl-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) 2.76 9.22 -65.35 0 5 -1 75 271.296 3 ↓
Lo Low (pH 4.5-6) 2.76 8.4 -30.84 1 5 0 78 272.304 3 ↓

Analogs

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Popular Name: 1-(2-chloro-4-fluoro-phenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(2-chloro-4-fluoro-phenyl)-6-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 8.09 -63.22 0 5 -1 75 281.65 2 ↓
Lo Low (pH 4.5-6) 2.23 7.29 -30.65 1 5 0 78 282.658 2 ↓

Analogs

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Popular Name: 1-(5-fluoro-2-methyl-phenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(5-fluoro-2-methyl-phenyl)-6-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 8.24 -63.1 0 5 -1 75 261.232 2 ↓
Lo Low (pH 4.5-6) 2.21 7.42 -29.12 1 5 0 78 262.24 2 ↓

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(2,4-dimethylphenyl)-6-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) 2.29 8.84 -66.38 0 5 -1 75 257.269 2 ↓
Lo Low (pH 4.5-6) 2.29 8.02 -30.6 1 5 0 78 258.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethylphenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(3,4-dimethylphenyl)-6-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) 2.29 8.53 -65.94 0 5 -1 75 257.269 2 ↓
Lo Low (pH 4.5-6) 2.29 7.72 -30.7 1 5 0 78 258.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluoro-2-methyl-phenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(4-fluoro-2-methyl-phenyl)-6-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 8.24 -63.7 0 5 -1 75 261.232 2 ↓
Lo Low (pH 4.5-6) 2.00 7.41 -31.03 1 5 0 78 262.24 2 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(3,4-difluorophenyl)-6-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) 1.72 7.42 -60.04 0 5 -1 75 265.195 2 ↓
Lo Low (pH 4.5-6) 1.72 6.62 -30.18 1 5 0 78 266.203 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylphenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic 1-(3,5-dimethylphenyl)-6-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) 2.50 8.63 -66.09 0 5 -1 75 257.269 2 ↓

Parameters Provided:

ring.id = 24195
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 = 24195 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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