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Analogs

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Popular Name: N-pyridazin-3-yl-N-(3-pyridylmethyl)propane-1,3-diamine N-pyridazin-3-yl-N-(3-pyridylmet…

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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 4.24 -49.59 3 5 1 70 244.322 6 ↓
Mid Mid (pH 6-8) -0.33 4.11 -97.8 4 5 2 71 245.33 6 ↓
Mid Mid (pH 6-8) -0.33 4.41 -97.07 4 5 2 71 245.33 6 ↓

Analogs

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Popular Name: 3-[pyridazin-3-yl(3-pyridylmethyl)amino]propanethioamide 3-[pyridazin-3-yl(3-pyridylmethy…

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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) -0.22 5.21 -17.79 2 5 0 68 273.365 6 ↓
Mid Mid (pH 6-8) -0.22 5.38 -46.84 3 5 1 69 274.373 6 ↓
Mid Mid (pH 6-8) -0.22 5.1 -37.06 3 5 1 69 274.373 6 ↓

Analogs

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Popular Name: N'-hydroxy-3-[pyridazin-3-yl(3-pyridylmethyl)amino]propanamidine N'-hydroxy-3-[pyridazin-3-yl(3-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) -0.12 2.72 -12.56 3 7 0 101 272.312 6 ↓
Mid Mid (pH 6-8) -0.12 2.89 -44.55 4 7 1 102 273.32 6 ↓
Mid Mid (pH 6-8) -0.12 2.62 -37.38 4 7 1 102 273.32 6 ↓

Analogs

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Popular Name: 3-[pyridazin-3-yl(3-pyridylmethyl)amino]propanamidine 3-[pyridazin-3-yl(3-pyridylmethy…

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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) -0.04 3.78 -40.85 4 6 1 94 257.321 6 ↓
Mid Mid (pH 6-8) -0.04 3.66 -95.41 5 6 2 95 258.329 6 ↓
Mid Mid (pH 6-8) -0.04 3.95 -92.27 5 6 2 95 258.329 6 ↓

Analogs

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Popular Name: N-(3-pyridylmethyl)pyridazin-3-amine N-(3-pyridylmethyl)pyridazin-3-a…

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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) 0.35 3.38 -10.44 1 4 0 51 186.218 3 ↓
Mid Mid (pH 6-8) 0.35 3.55 -33.79 2 4 1 52 187.226 3 ↓
Mid Mid (pH 6-8) 0.35 3.55 -36.39 2 4 1 52 187.226 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-pyridyl)ethyl]pyridazin-3-amine N-[(1S)-1-(3-pyridyl)ethyl]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) 0.91 4.1 -11.08 1 4 0 51 200.245 3 ↓
Mid Mid (pH 6-8) 0.91 4.28 -33.53 2 4 1 52 201.253 3 ↓
Mid Mid (pH 6-8) 0.91 4.28 -36.89 2 4 1 52 201.253 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-pyridyl)ethyl]pyridazin-3-amine N-[(1R)-1-(3-pyridyl)ethyl]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) 0.91 4.1 -11.05 1 4 0 51 200.245 3 ↓
Mid Mid (pH 6-8) 0.91 4.28 -33.51 2 4 1 52 201.253 3 ↓
Mid Mid (pH 6-8) 0.91 4.27 -36.88 2 4 1 52 201.253 3 ↓

Analogs

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Popular Name: N-[(2-methoxy-3-pyridyl)methyl]pyridazin-3-amine N-[(2-methoxy-3-pyridyl)methyl]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) 0.70 1.92 -11.24 1 5 0 60 216.244 4 ↓
Mid Mid (pH 6-8) 0.70 2.09 -31.8 2 5 1 61 217.252 4 ↓
Mid Mid (pH 6-8) 0.70 2.09 -35.33 2 5 1 61 217.252 4 ↓

Analogs

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Popular Name: N-[(2-isopropoxy-3-pyridyl)methyl]pyridazin-3-amine N-[(2-isopropoxy-3-pyridyl)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) 1.44 3.79 -10.78 1 5 0 60 244.298 5 ↓
Mid Mid (pH 6-8) 1.44 3.97 -31.18 2 5 1 61 245.306 5 ↓
Mid Mid (pH 6-8) 1.44 3.96 -34.77 2 5 1 61 245.306 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) 0.85 2.43 -12.83 1 7 0 86 274.28 6 ↓
Lo Low (pH 4.5-6) 0.85 2.6 -36.41 2 7 1 87 275.288 6 ↓

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) 0.50 4.56 -11.89 1 6 0 77 258.281 5 ↓
Lo Low (pH 4.5-6) 0.50 5 -43.34 2 6 1 78 259.289 5 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[(6-methyl-3-pyridyl)methylamino]pyridazine-4-carbonitrile 5,6-dimethyl-3-[(6-methyl-3-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) 1.10 5.61 -8.61 1 5 0 74 253.309 3 ↓
Lo Low (pH 4.5-6) 1.10 6.05 -34.15 2 5 1 76 254.317 3 ↓

Analogs

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Popular Name: 3-[(6-chloropyridazin-3-yl)-(3-pyridylmethyl)amino]propanenitrile 3-[(6-chloropyridazin-3-yl)-(3-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 7 -16.5 0 5 0 66 273.727 5 ↓
Lo Low (pH 4.5-6) 1.27 7.47 -53.15 1 5 1 67 274.735 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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