UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5,6-dimethyl-3-(4-propyl-1-piperidyl)pyridazine-4-carbonitrile 5,6-dimethyl-3-(4-propyl-1-piper…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 8.69 -6.57 0 4 0 53 258.369 3 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-(4-propyl-1-piperidyl)pyridazine-4-carbothioamide 5,6-dimethyl-3-(4-propyl-1-piper…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 7.51 -12.54 2 4 0 55 292.452 4 ↓
Lo Low (pH 4.5-6) 3.57 7.63 -36.76 3 4 1 56 293.46 4 ↓
Lo Low (pH 4.5-6) 3.57 7.68 -32.72 3 4 1 56 293.46 4 ↓

Analogs

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Popular Name: 6-(4-propyl-1-piperidyl)pyridazine-3-carboxylic 6-(4-propyl-1-piperidyl)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) 2.67 7.74 -52.11 0 5 -1 69 248.306 4 ↓
Mid Mid (pH 6-8) 2.67 7.84 -38.94 1 5 0 70 249.314 4 ↓

Analogs

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Popular Name: 3-chloro-6-(4-propyl-1-piperidyl)pyridazine 3-chloro-6-(4-propyl-1-piperidyl…

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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) 4.04 7.62 -7.15 0 3 0 29 239.75 3 ↓

Analogs

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Popular Name: 1-(pyridazin-3-yl)piperidin-4-amine 1-(pyridazin-3-yl)piperidin-4-amine

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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) -0.30 2.42 -50.94 3 4 1 57 179.247 1 ↓

Analogs

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Popular Name: N-methyl-1-(pyridazin-3-yl)piperidin-4-amine N-methyl-1-(pyridazin-3-yl)piper…

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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) 0.61 4.13 -45.67 2 4 1 46 193.274 2 ↓

Analogs

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Popular Name: N-ethyl-1-pyridazin-3-yl-piperidin-4-amine N-ethyl-1-pyridazin-3-yl-piperid…

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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) 0.99 4.97 -44.66 2 4 1 46 207.301 3 ↓

Analogs

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Popular Name: N-propyl-1-pyridazin-3-yl-piperidin-4-amine N-propyl-1-pyridazin-3-yl-piperi…

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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 5.73 -45.45 2 4 1 46 221.328 4 ↓

Analogs

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Popular Name: MFCD16767477 MFCD16767477

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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) 0.45 5.74 -45.45 0 5 -1 69 206.225 2 ↓

Analogs

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Popular Name: MFCD16767477 MFCD16767477

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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) 0.45 5.69 -44.51 0 5 -1 69 206.225 2 ↓

Analogs

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Popular Name: 1-pyridazin-3-ylpiperidine-4-carboxylic 1-pyridazin-3-ylpiperidine-4-car…

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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) 0.45 5.69 -51 0 5 -1 69 206.225 2 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-1-pyridazin-3-yl-3-piperidyl]methanamine N-methyl-1-[(3S)-1-pyridazin-3-y…

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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) 0.99 5.04 -38.8 2 4 1 46 207.301 3 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-1-pyridazin-3-yl-3-piperidyl]methanamine N-methyl-1-[(3R)-1-pyridazin-3-y…

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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) 0.99 5.04 -38.77 2 4 1 46 207.301 3 ↓

Analogs

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Popular Name: 1-(pyridazin-3-yl)piperidin-3-amine dihydrochloride 1-(pyridazin-3-yl)piperidin-3-am…

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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) -0.30 2.43 -54.97 3 4 1 57 179.247 1 ↓

Analogs

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Popular Name: 1-(pyridazin-3-yl)piperidin-3-amine dihydrochloride 1-(pyridazin-3-yl)piperidin-3-am…

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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) -0.30 2.44 -54.91 3 4 1 57 179.247 1 ↓

Analogs

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Popular Name: (1-pyridazin-3-yl-4-piperidyl)methanamine (1-pyridazin-3-yl-4-piperidyl)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) 0.01 3.2 -53.46 3 4 1 57 193.274 2 ↓

Analogs

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Popular Name: [(3R)-1-pyridazin-3-yl-3-piperidyl]methanamine [(3R)-1-pyridazin-3-yl-3-piperid…

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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) 0.01 3.17 -57.38 3 4 1 57 193.274 2 ↓

Analogs

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Popular Name: [(3S)-1-pyridazin-3-yl-3-piperidyl]methanamine [(3S)-1-pyridazin-3-yl-3-piperid…

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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) 0.01 3.18 -57.31 3 4 1 57 193.274 2 ↓

Analogs

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Popular Name: [(2R)-1-pyridazin-3-yl-2-piperidyl]methanamine [(2R)-1-pyridazin-3-yl-2-piperid…

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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) 0.14 2.42 -45.92 3 4 1 57 193.274 2 ↓

Analogs

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Popular Name: [(2S)-1-pyridazin-3-yl-2-piperidyl]methanamine [(2S)-1-pyridazin-3-yl-2-piperid…

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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) 0.14 2.39 -46.08 3 4 1 57 193.274 2 ↓

Analogs

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Popular Name: (3S)-1-pyridazin-3-ylpiperidin-3-ol (3S)-1-pyridazin-3-ylpiperidin-3-ol

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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) 0.19 1.83 -9.08 1 4 0 49 179.223 1 ↓

Analogs

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Popular Name: (3R)-1-pyridazin-3-ylpiperidin-3-ol (3R)-1-pyridazin-3-ylpiperidin-3-ol

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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) 0.19 1.86 -9.09 1 4 0 49 179.223 1 ↓

Analogs

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Popular Name: 1-(pyridazin-3-yl)piperidin-4-ol 1-(pyridazin-3-yl)piperidin-4-ol

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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) -0.54 1.86 -10.59 1 4 0 49 179.223 1 ↓

Analogs

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Popular Name: [(2R)-1-pyridazin-3-yl-2-piperidyl]methanol [(2R)-1-pyridazin-3-yl-2-piperid…

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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) 0.70 2.06 -9.42 1 4 0 49 193.25 2 ↓

Analogs

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Popular Name: [(2S)-1-pyridazin-3-yl-2-piperidyl]methanol [(2S)-1-pyridazin-3-yl-2-piperid…

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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) 0.70 2.05 -9.43 1 4 0 49 193.25 2 ↓

Analogs

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Popular Name: [(3S)-1-pyridazin-3-yl-3-piperidyl]methanol [(3S)-1-pyridazin-3-yl-3-piperid…

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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) 0.58 2.46 -9.31 1 4 0 49 193.25 2 ↓

Analogs

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Popular Name: [(3R)-1-pyridazin-3-yl-3-piperidyl]methanol [(3R)-1-pyridazin-3-yl-3-piperid…

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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) 0.58 2.48 -9.33 1 4 0 49 193.25 2 ↓

Analogs

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Popular Name: (1-pyridazin-3-yl-4-piperidyl)methanol (1-pyridazin-3-yl-4-piperidyl)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) 0.58 2.49 -8.85 1 4 0 49 193.25 2 ↓

Analogs

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Popular Name: 2-[(2R)-1-pyridazin-3-yl-2-piperidyl]ethanol 2-[(2R)-1-pyridazin-3-yl-2-piper…

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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 2.36 -10.67 1 4 0 49 207.277 3 ↓

Analogs

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Popular Name: 2-[(2S)-1-pyridazin-3-yl-2-piperidyl]ethanol 2-[(2S)-1-pyridazin-3-yl-2-piper…

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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 2.36 -10.57 1 4 0 49 207.277 3 ↓

Analogs

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Popular Name: 2-[(3R)-1-pyridazin-3-yl-3-piperidyl]ethanol 2-[(3R)-1-pyridazin-3-yl-3-piper…

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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) 0.85 3.07 -9.58 1 4 0 49 207.277 3 ↓

Analogs

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Popular Name: 2-[(3S)-1-pyridazin-3-yl-3-piperidyl]ethanol 2-[(3S)-1-pyridazin-3-yl-3-piper…

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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) 0.85 3.08 -9.58 1 4 0 49 207.277 3 ↓

Analogs

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Popular Name: N-methyl-1-(1-pyridazin-3-yl-4-piperidyl)methanamine N-methyl-1-(1-pyridazin-3-yl-4-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) 0.99 5.07 -48.31 2 4 1 46 207.301 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-(6-methylpyridazin-3-yl)-4-piperidyl]methanamine N-methyl-1-[1-(6-methylpyridazin…

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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) 1.24 5.69 -48.61 2 4 1 46 221.328 3 ↓

Analogs

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Popular Name: N-[(1-pyridazin-3-yl-4-piperidyl)methyl]ethanamine N-[(1-pyridazin-3-yl-4-piperidyl…

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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) 1.02 5.94 -47.27 2 4 1 46 221.328 4 ↓

Analogs

42864710
42864710
42864712
42864712
42864715
42864715
42864718
42864718
44509241
44509241

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Popular Name: N-[[1-(6-methylpyridazin-3-yl)-4-piperidyl]methyl]ethanamine N-[[1-(6-methylpyridazin-3-yl)-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) 1.27 6.55 -47.54 2 4 1 46 235.355 4 ↓

Analogs

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Popular Name: N-[(1-pyridazin-3-yl-4-piperidyl)methyl]propan-1-amine N-[(1-pyridazin-3-yl-4-piperidyl…

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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) 1.52 6.68 -48.3 2 4 1 46 235.355 5 ↓

Analogs

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Popular Name: propan-2-yl({[1-(pyridazin-3-yl)piperidin-4-yl]methyl})amine dihydrobromide propan-2-yl({[1-(pyridazin-3-yl)…

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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 6.45 -46.11 2 4 1 46 235.355 4 ↓

Analogs

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Popular Name: 3-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[4-[[isopropyl(methyl)amino]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) 2.61 9.83 -37.15 1 5 1 57 302.446 4 ↓

Analogs

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Popular Name: 3-[(3S)-3-(dimethylamino)-1-piperidyl]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[(3S)-3-(dimethylamino)-1-pipe…

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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 7.66 -36.38 1 5 1 57 260.365 2 ↓
Hi High (pH 8-9.5) 1.55 5.2 -7.19 0 5 0 56 259.357 2 ↓

Analogs

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Popular Name: 3-[(3R)-3-(dimethylamino)-1-piperidyl]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[(3R)-3-(dimethylamino)-1-pipe…

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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 7.66 -36.32 1 5 1 57 260.365 2 ↓
Hi High (pH 8-9.5) 1.55 5.05 -6.84 0 5 0 56 259.357 2 ↓

Analogs

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Popular Name: 1-(6-methoxycarbonylpyridazin-3-yl)-4-methyl-piperidine-4-carboxylic 1-(6-methoxycarbonylpyridazin-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) 0.80 6.58 -51.26 0 7 -1 95 278.288 4 ↓

Analogs

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Popular Name: 1-(6-chloropyridazin-3-yl)-4-methyl-piperidine-4-carboxylic 1-(6-chloropyridazin-3-yl)-4-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) 1.91 6.41 -50.72 0 5 -1 69 254.697 2 ↓

Analogs

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Popular Name: 4-ethyl-1-(6-methoxycarbonylpyridazin-3-yl)piperidine-4-carboxylic 4-ethyl-1-(6-methoxycarbonylpyri…

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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) 1.13 7.07 -50.84 0 7 -1 95 292.315 5 ↓
Lo Low (pH 4.5-6) 1.13 5.22 -13.98 1 7 0 93 293.323 5 ↓

Analogs

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Popular Name: 1-(6-chloropyridazin-3-yl)-4-ethyl-piperidine-4-carboxylic 1-(6-chloropyridazin-3-yl)-4-eth…

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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) 2.25 6.85 -49.98 0 5 -1 69 268.724 3 ↓
Lo Low (pH 4.5-6) 2.25 5.03 -12.58 1 5 0 66 269.732 3 ↓

Analogs

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Popular Name: 1-(6-chloropyridazin-3-yl)-4-propyl-piperidine-4-carboxylic 1-(6-chloropyridazin-3-yl)-4-pro…

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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) 2.81 7.63 -50.34 0 5 -1 69 282.751 4 ↓
Lo Low (pH 4.5-6) 2.81 5.8 -12.45 1 5 0 66 283.759 4 ↓

Analogs

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Popular Name: methyl [1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetate methyl [1-(6-chloropyridazin-3-y…

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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) 2.43 6.87 -9.24 0 5 0 55 269.732 4 ↓

Analogs

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Popular Name: (3S)-1-(6-methoxycarbonylpyridazin-3-yl)-3-methyl-piperidine-3-carboxylic (3S)-1-(6-methoxycarbonylpyridaz…

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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) 0.80 6.96 -53.6 0 7 -1 95 278.288 4 ↓

Analogs

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Popular Name: (3R)-1-(6-methoxycarbonylpyridazin-3-yl)-3-methyl-piperidine-3-carboxylic (3R)-1-(6-methoxycarbonylpyridaz…

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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) 0.80 6.97 -53.65 0 7 -1 95 278.288 4 ↓

Analogs

15443575
15443575
15443576
15443576

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-chloropyridazin-3-yl)-3-methyl-piperidine-3-carboxylic (3S)-1-(6-chloropyridazin-3-yl)-…

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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) 1.91 6.79 -53.85 0 5 -1 69 254.697 2 ↓

Parameters Provided:

ring.id = 16713
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 = 16713 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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