UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-pyridazin-3-ylpiperazin-1-yl)propanoic 3-(4-pyridazin-3-ylpiperazin-1-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) -0.16 6.35 -51.67 1 6 0 74 236.275 4 ↓
Hi High (pH 8-9.5) -0.16 4.13 -48.76 0 6 -1 72 235.267 4 ↓

Analogs

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Popular Name: 3-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-amine 3-(4-pyridazin-3-ylpiperazin-1-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) -0.60 3.81 -116.93 4 5 2 61 223.324 4 ↓
Hi High (pH 8-9.5) -0.60 1.22 -8.51 2 5 0 58 221.308 4 ↓
Mid Mid (pH 6-8) -0.60 3.43 -42.48 3 5 1 59 222.316 4 ↓

Analogs

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Popular Name: 2-(4-pyridazin-3-ylpiperazin-1-yl)ethanamine 2-(4-pyridazin-3-ylpiperazin-1-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) -0.87 0.83 -51.7 3 5 1 60 208.289 3 ↓
Lo Low (pH 4.5-6) -0.87 3.04 -126.95 4 5 2 61 209.297 3 ↓

Analogs

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Popular Name: 4-(4-pyridazin-3-ylpiperazin-1-yl)butan-1-amine 4-(4-pyridazin-3-ylpiperazin-1-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) -0.33 4.59 -107.94 4 5 2 61 237.351 5 ↓
Mid Mid (pH 6-8) -0.33 2.38 -50.18 3 5 1 60 236.343 5 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-amine (2S)-2-methyl-3-(4-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) -0.12 4.54 -115.05 4 5 2 61 237.351 4 ↓
Mid Mid (pH 6-8) -0.12 2.6 -51.43 3 5 1 60 236.343 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-amine (2R)-2-methyl-3-(4-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) -0.12 4.54 -115.44 4 5 2 61 237.351 4 ↓
Mid Mid (pH 6-8) -0.12 2.61 -51.54 3 5 1 60 236.343 4 ↓

Analogs

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Popular Name: 5-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-amine 5-(4-pyridazin-3-ylpiperazin-1-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) 0.18 5.37 -102.34 4 5 2 61 251.378 6 ↓
Mid Mid (pH 6-8) 0.18 3.16 -49.52 3 5 1 60 250.37 6 ↓

Analogs

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Popular Name: (3S)-3-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-amine (3S)-3-(4-pyridazin-3-ylpiperazi…

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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 4.66 -120.51 4 5 2 61 251.378 5 ↓
Hi High (pH 8-9.5) 0.27 2.47 -7.77 2 5 0 58 249.362 5 ↓
Mid Mid (pH 6-8) 0.27 4.27 -40.53 3 5 1 59 250.37 5 ↓

Analogs

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Popular Name: (3R)-3-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-amine (3R)-3-(4-pyridazin-3-ylpiperazi…

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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 4.68 -115.03 4 5 2 61 251.378 5 ↓
Hi High (pH 8-9.5) 0.27 2.57 -7.64 2 5 0 58 249.362 5 ↓
Mid Mid (pH 6-8) 0.27 4.28 -40.29 3 5 1 59 250.37 5 ↓

Analogs

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Popular Name: 3-[(3R)-3-methylpiperazin-1-yl]pyridazine 3-[(3R)-3-methylpiperazin-1-yl]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) 0.41 3.48 -44.04 2 4 1 46 179.247 1 ↓
Hi High (pH 8-9.5) 0.41 2.22 -8.02 1 4 0 41 178.239 1 ↓

Analogs

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Popular Name: 3-[(3S)-3-methylpiperazin-1-yl]pyridazine 3-[(3S)-3-methylpiperazin-1-yl]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) 0.41 3.48 -44.24 2 4 1 46 179.247 1 ↓
Hi High (pH 8-9.5) 0.41 2.23 -8.22 1 4 0 41 178.239 1 ↓

Analogs

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Popular Name: 2-(4-pyridazin-3-ylpiperazin-1-yl)ethanol 2-(4-pyridazin-3-ylpiperazin-1-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) -0.30 0.15 -10.2 1 5 0 52 208.265 3 ↓
Mid Mid (pH 6-8) -0.30 2.46 -40.38 2 5 1 54 209.273 3 ↓

Analogs

40290314
40290314
40290332
40290332

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Popular Name: (5,6-dimethyl-3-piperazin-1-yl-pyridazin-4-yl)methanamine (5,6-dimethyl-3-piperazin-1-yl-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) -0.14 2.08 -115.16 5 5 2 73 223.324 2 ↓
Hi High (pH 8-9.5) -0.14 0.41 -7.56 3 5 0 67 221.308 2 ↓
Mid Mid (pH 6-8) -0.14 1.69 -42.5 4 5 1 72 222.316 2 ↓

Analogs

26420581
26420581

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Popular Name: 6-(piperazin-1-yl)pyridazin-3-ol hydrochloride 6-(piperazin-1-yl)pyridazin-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) 0.05 -0.73 -76.34 2 5 0 69 180.211 1 ↓
Hi High (pH 8-9.5) 0.05 -2.03 -49.22 1 5 -1 64 179.203 1 ↓
Mid Mid (pH 6-8) 0.05 -1.5 -50.42 3 5 1 66 181.219 1 ↓

Analogs

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Popular Name: 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-(6-chloropyridazin-3-yl)pip…

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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 5.16 -43.47 1 5 1 37 270.788 4 ↓
Hi High (pH 8-9.5) 1.57 2.67 -7.74 0 5 0 35 269.78 4 ↓

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) 0.88 5.43 -13.43 0 8 0 85 294.311 5 ↓

Analogs

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Popular Name: [5,6-dimethyl-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazin-4-yl]methanamine [5,6-dimethyl-3-[4-[(1R)-1-methy…

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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) 1.66 5.98 -110.25 4 5 2 61 279.432 4 ↓
Hi High (pH 8-9.5) 1.66 4.22 -55.18 3 5 1 60 278.424 4 ↓
Hi High (pH 8-9.5) 1.66 3.84 -7.91 2 5 0 58 277.416 4 ↓

Analogs

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Popular Name: [5,6-dimethyl-3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazin-4-yl]methanamine [5,6-dimethyl-3-[4-[(1S)-1-methy…

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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) 1.66 5.98 -110.24 4 5 2 61 279.432 4 ↓
Hi High (pH 8-9.5) 1.66 3.75 -8.01 2 5 0 58 277.416 4 ↓
Hi High (pH 8-9.5) 1.66 4.14 -55.23 3 5 1 60 278.424 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazine-4-carboxamidine 5,6-dimethyl-3-[4-[(1R)-1-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) 0.86 5.23 -35.08 4 6 1 83 291.423 4 ↓
Hi High (pH 8-9.5) 0.86 3.47 -7.58 3 6 0 82 290.415 4 ↓
Mid Mid (pH 6-8) 0.86 5.36 -93.49 5 6 2 85 292.431 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazine-4-carboxamidine 5,6-dimethyl-3-[4-[(1S)-1-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) 0.86 5.23 -35.35 4 6 1 83 291.423 4 ↓
Hi High (pH 8-9.5) 0.86 3.39 -7.71 3 6 0 82 290.415 4 ↓
Mid Mid (pH 6-8) 0.86 5.37 -93.53 5 6 2 85 292.431 4 ↓

Analogs

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Popular Name: [6-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methanol [6-[4-[(1R)-1-methylpropyl]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) 1.14 4.19 -39.76 2 5 1 54 251.354 4 ↓
Hi High (pH 8-9.5) 1.14 2.33 -7.49 1 5 0 52 250.346 4 ↓

Analogs

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Popular Name: [6-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methanol [6-[4-[(1S)-1-methylpropyl]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) 1.14 4.22 -39.9 2 5 1 54 251.354 4 ↓
Hi High (pH 8-9.5) 1.14 2.35 -7.44 1 5 0 52 250.346 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-6-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazine 3-(chloromethyl)-6-[4-[(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) 2.38 7.96 -40.82 1 4 1 33 269.8 4 ↓
Hi High (pH 8-9.5) 2.38 6.1 -7.9 0 4 0 32 268.792 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-6-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazine 3-(chloromethyl)-6-[4-[(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) 2.38 7.99 -40.74 1 4 1 33 269.8 4 ↓
Hi High (pH 8-9.5) 2.38 6.13 -7.9 0 4 0 32 268.792 4 ↓

Analogs

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Popular Name: N-methyl-1-[6-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methanamine N-methyl-1-[6-[4-[(1R)-1-methylp…

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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 6.6 -85 3 5 2 50 265.405 5 ↓
Hi High (pH 8-9.5) 1.36 3.29 -8.16 1 5 0 44 263.389 5 ↓
Hi High (pH 8-9.5) 1.36 4.74 -41.22 2 5 1 49 264.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[6-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methanamine N-methyl-1-[6-[4-[(1S)-1-methylp…

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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 6.63 -85.76 3 5 2 50 265.405 5 ↓
Hi High (pH 8-9.5) 1.36 3.31 -8.18 1 5 0 44 263.389 5 ↓
Hi High (pH 8-9.5) 1.36 4.76 -41.25 2 5 1 49 264.397 5 ↓

Analogs

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Popular Name: N-[[6-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methyl]ethanamine N-[[6-[4-[(1R)-1-methylpropyl]pi…

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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) 1.74 7.46 -84.49 3 5 2 50 279.432 6 ↓
Hi High (pH 8-9.5) 1.74 4.22 -7.95 1 5 0 44 277.416 6 ↓
Hi High (pH 8-9.5) 1.74 5.6 -40.35 2 5 1 49 278.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methyl]ethanamine N-[[6-[4-[(1S)-1-methylpropyl]pi…

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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) 1.74 7.49 -85.21 3 5 2 50 279.432 6 ↓
Hi High (pH 8-9.5) 1.74 5.62 -40.38 2 5 1 49 278.424 6 ↓
Hi High (pH 8-9.5) 1.74 4.24 -7.91 1 5 0 44 277.416 6 ↓

Analogs

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Popular Name: N-[[6-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methyl]propan-1-amine N-[[6-[4-[(1S)-1-methylpropyl]pi…

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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) 2.24 8.23 -86.37 3 5 2 50 293.459 7 ↓
Hi High (pH 8-9.5) 2.24 6.37 -41.16 2 5 1 49 292.451 7 ↓
Hi High (pH 8-9.5) 2.24 5 -6.25 1 5 0 44 291.443 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methyl]propan-1-amine N-[[6-[4-[(1R)-1-methylpropyl]pi…

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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) 2.24 8.23 -85.55 3 5 2 50 293.459 7 ↓
Hi High (pH 8-9.5) 2.24 6.36 -41.09 2 5 1 49 292.451 7 ↓
Hi High (pH 8-9.5) 2.24 5 -6.25 1 5 0 44 291.443 7 ↓

Analogs

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Popular Name: N-[[6-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methyl]propan-2-amine N-[[6-[4-[(1R)-1-methylpropyl]pi…

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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 7.98 -83 3 5 2 50 293.459 6 ↓
Hi High (pH 8-9.5) 2.03 6.12 -38.3 2 5 1 49 292.451 6 ↓

Analogs

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Popular Name: N-[[6-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methyl]propan-2-amine N-[[6-[4-[(1S)-1-methylpropyl]pi…

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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 8.01 -83.69 3 5 2 50 293.459 6 ↓
Hi High (pH 8-9.5) 2.03 6.15 -38.29 2 5 1 49 292.451 6 ↓

Analogs

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Popular Name: [6-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methanamine [6-[4-[(1R)-1-methylpropyl]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) 0.99 4.73 -89.76 4 5 2 61 251.378 4 ↓
Hi High (pH 8-9.5) 0.99 2.46 -6.92 2 5 0 58 249.362 4 ↓
Hi High (pH 8-9.5) 0.99 4.32 -40.53 3 5 1 59 250.37 4 ↓

Analogs

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Popular Name: [6-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazin-3-yl]methanamine [6-[4-[(1S)-1-methylpropyl]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) 0.99 4.75 -90.57 4 5 2 61 251.378 4 ↓
Hi High (pH 8-9.5) 0.99 2.89 -46.56 3 5 1 60 250.37 4 ↓
Hi High (pH 8-9.5) 0.99 2.49 -6.86 2 5 0 58 249.362 4 ↓

Analogs

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Popular Name: [3-(4-isobutylpiperazin-1-yl)-5,6-dimethyl-pyridazin-4-yl]methanamine [3-(4-isobutylpiperazin-1-yl)-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) 1.57 6.45 -112.37 4 5 2 61 279.432 4 ↓
Hi High (pH 8-9.5) 1.57 4.13 -8 2 5 0 58 277.416 4 ↓
Hi High (pH 8-9.5) 1.57 4.48 -55.66 3 5 1 60 278.424 4 ↓

Analogs

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Popular Name: 3-(4-isobutylpiperazin-1-yl)-5,6-dimethyl-pyridazine-4-carboxamidine 3-(4-isobutylpiperazin-1-yl)-5,6…

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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) 0.78 5.56 -36.29 4 6 1 83 291.423 4 ↓
Hi High (pH 8-9.5) 0.78 3.64 -7.94 3 6 0 82 290.415 4 ↓
Mid Mid (pH 6-8) 0.78 5.56 -95.17 5 6 2 85 292.431 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazine-4-carbonitrile 5,6-dimethyl-3-[4-[(1R)-1-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) 2.23 8.29 -34.16 1 5 1 57 274.392 3 ↓
Hi High (pH 8-9.5) 2.23 6.52 -6.66 0 5 0 56 273.384 3 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazine-4-carbonitrile 5,6-dimethyl-3-[4-[(1S)-1-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) 2.23 8.28 -34.17 1 5 1 57 274.392 3 ↓
Hi High (pH 8-9.5) 2.23 6.47 -6.65 0 5 0 56 273.384 3 ↓

Analogs

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Popular Name: [6-(4-isobutylpiperazin-1-yl)pyridazin-3-yl]methanol [6-(4-isobutylpiperazin-1-yl)pyr…

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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) 1.05 4.55 -41.7 2 5 1 54 251.354 4 ↓
Hi High (pH 8-9.5) 1.05 2.61 -7.69 1 5 0 52 250.346 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-6-(4-isobutylpiperazin-1-yl)pyridazine 3-(chloromethyl)-6-(4-isobutylpi…

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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 8.33 -42.69 1 4 1 33 269.8 4 ↓
Hi High (pH 8-9.5) 2.29 6.49 -8.08 0 4 0 32 268.792 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazine-4-carbothioamide 5,6-dimethyl-3-[4-[(1R)-1-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) 2.27 7.11 -40.8 3 5 1 59 308.475 4 ↓
Hi High (pH 8-9.5) 2.27 5.36 -12.17 2 5 0 58 307.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazine-4-carbothioamide 5,6-dimethyl-3-[4-[(1S)-1-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) 2.27 7.11 -41.29 3 5 1 59 308.475 4 ↓
Hi High (pH 8-9.5) 2.27 5.27 -12.3 2 5 0 58 307.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-isobutylpiperazin-1-yl)-5,6-dimethyl-pyridazine-4-carbothioamide 3-(4-isobutylpiperazin-1-yl)-5,6…

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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) 2.19 7.46 -42.71 3 5 1 59 308.475 4 ↓
Hi High (pH 8-9.5) 2.19 5.53 -12.4 2 5 0 58 307.467 4 ↓

Analogs

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Popular Name: 1-[6-(4-isobutylpiperazin-1-yl)pyridazin-3-yl]-N-methyl-methanamine 1-[6-(4-isobutylpiperazin-1-yl)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) 1.27 6.97 -87.84 3 5 2 50 265.405 5 ↓
Hi High (pH 8-9.5) 1.27 5.51 -42.29 2 5 1 45 264.397 5 ↓
Hi High (pH 8-9.5) 1.27 3.67 -8.32 1 5 0 44 263.389 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(4-isobutylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine N-[[6-(4-isobutylpiperazin-1-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) 1.65 7.81 -87.02 3 5 2 50 279.432 6 ↓
Hi High (pH 8-9.5) 1.65 5.97 -40.6 2 5 1 49 278.424 6 ↓
Hi High (pH 8-9.5) 1.65 6.43 -40.62 2 5 1 45 278.424 6 ↓

Analogs

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Popular Name: N-[[6-(4-isobutylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine N-[[6-(4-isobutylpiperazin-1-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) 2.15 8.56 -88.52 3 5 2 50 293.459 7 ↓
Hi High (pH 8-9.5) 2.15 6.72 -41.39 2 5 1 49 292.451 7 ↓
Hi High (pH 8-9.5) 2.15 5.36 -6.48 1 5 0 44 291.443 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(4-isobutylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-2-amine N-[[6-(4-isobutylpiperazin-1-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) 1.95 8.34 -86.4 3 5 2 50 293.459 6 ↓
Hi High (pH 8-9.5) 1.95 6.51 -38.57 2 5 1 49 292.451 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(4-isobutylpiperazin-1-yl)pyridazin-3-yl]methanamine [6-(4-isobutylpiperazin-1-yl)pyr…

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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) 0.90 5.09 -92.68 4 5 2 61 251.378 4 ↓
Hi High (pH 8-9.5) 0.90 4.69 -42.59 3 5 1 59 250.37 4 ↓
Hi High (pH 8-9.5) 0.90 2.85 -8.85 2 5 0 58 249.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyridazine-3-carboxylic 6-[4-[(1R)-1-methylpropyl]pipera…

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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 7.32 -75.7 1 6 0 74 264.329 4 ↓
Hi High (pH 8-9.5) 1.37 5.52 -51.3 0 6 -1 72 263.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyridazine-3-carboxylic 6-[4-[(1S)-1-methylpropyl]pipera…

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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 7.32 -75.21 1 6 0 74 264.329 4 ↓
Hi High (pH 8-9.5) 1.37 5.46 -51.23 0 6 -1 72 263.321 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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