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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(N-ethyl-3-methyl-anilino)pyridazine-3-carboxylic 6-(N-ethyl-3-methyl-anilino)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) 2.77 8.65 -53.05 0 5 -1 69 256.285 4 ↓

Analogs

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Popular Name: 6-chloro-N-ethyl-N-(m-tolyl)pyridazin-3-amine 6-chloro-N-ethyl-N-(m-tolyl)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) 4.15 8.56 -8.75 0 3 0 29 247.729 3 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-6-(methylaminomethyl)pyridazin-3-amine N-ethyl-N-(3-fluorophenyl)-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) 2.47 6.83 -106.47 3 4 2 47 262.332 5 ↓
Hi High (pH 8-9.5) 2.47 5.91 -9.91 1 4 0 41 260.316 5 ↓
Lo Low (pH 4.5-6) 2.47 7.48 -110.59 3 4 2 47 262.332 5 ↓

Analogs

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Popular Name: N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine N-ethyl-6-(ethylaminomethyl)-N-(…

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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) 2.85 7.69 -106.93 3 4 2 47 276.359 6 ↓
Hi High (pH 8-9.5) 2.85 6.84 -8.79 1 4 0 41 274.343 6 ↓
Lo Low (pH 4.5-6) 2.85 8.34 -111.18 3 4 2 47 276.359 6 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-6-(propylaminomethyl)pyridazin-3-amine N-ethyl-N-(3-fluorophenyl)-6-(pr…

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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) 3.35 8.44 -109.13 3 4 2 47 290.386 7 ↓
Hi High (pH 8-9.5) 3.35 7.61 -8.63 1 4 0 41 288.37 7 ↓
Lo Low (pH 4.5-6) 3.35 9.09 -113.45 3 4 2 47 290.386 7 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-6-[(isopropylamino)methyl]pyridazin-3-amine N-ethyl-N-(3-fluorophenyl)-6-[(i…

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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) 3.15 8.75 -41.81 2 4 1 46 289.378 6 ↓

Analogs

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Popular Name: N-methyl-6-(methylaminomethyl)-N-(p-tolyl)pyridazin-3-amine N-methyl-6-(methylaminomethyl)-N…

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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) 2.41 6.41 -46.1 2 4 1 46 243.334 4 ↓
Hi High (pH 8-9.5) 2.41 4.96 -9.82 1 4 0 41 242.326 4 ↓

Analogs

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Popular Name: 6-(ethylaminomethyl)-N-methyl-N-(p-tolyl)pyridazin-3-amine 6-(ethylaminomethyl)-N-methyl-N-…

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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) 2.78 7.43 -101.44 3 4 2 47 258.369 5 ↓
Hi High (pH 8-9.5) 2.78 6.63 -8.48 1 4 0 41 256.353 5 ↓
Lo Low (pH 4.5-6) 2.78 8.13 -107.81 3 4 2 47 258.369 5 ↓

Analogs

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Popular Name: N-methyl-6-(propylaminomethyl)-N-(p-tolyl)pyridazin-3-amine N-methyl-6-(propylaminomethyl)-N…

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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) 3.29 7.4 -8.39 1 4 0 41 270.38 6 ↓
Lo Low (pH 4.5-6) 3.29 8.88 -110.05 3 4 2 47 272.396 6 ↓

Analogs

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Popular Name: 6-[(isopropylamino)methyl]-N-methyl-N-(p-tolyl)pyridazin-3-amine 6-[(isopropylamino)methyl]-N-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) 3.08 7.78 -44.03 2 4 1 46 271.388 5 ↓

Analogs

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Popular Name: 6-[(tert-butylamino)methyl]-N-methyl-N-(p-tolyl)pyridazin-3-amine 6-[(tert-butylamino)methyl]-N-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) 3.59 8.2 -41.56 2 4 1 46 285.415 5 ↓

Analogs

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Popular Name: 6-[(isobutylamino)methyl]-N-methyl-N-(p-tolyl)pyridazin-3-amine 6-[(isobutylamino)methyl]-N-meth…

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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) 3.53 8.71 -46.39 2 4 1 46 285.415 6 ↓

Analogs

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Popular Name: N-phenyl-N-pyridazin-3-yl-propane-1,3-diamine N-phenyl-N-pyridazin-3-yl-propan…

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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) 1.21 4.9 -48.69 3 4 1 57 229.307 5 ↓
Mid Mid (pH 6-8) 1.21 5.07 -95.39 4 4 2 58 230.315 5 ↓
Mid Mid (pH 6-8) 1.21 5.07 -94.36 4 4 2 58 230.315 5 ↓

Analogs

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Popular Name: N-(p-tolyl)-N-pyridazin-3-yl-propane-1,3-diamine N-(p-tolyl)-N-pyridazin-3-yl-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) 1.66 5.59 -48.62 3 4 1 57 243.334 5 ↓
Mid Mid (pH 6-8) 1.66 5.76 -95.47 4 4 2 58 244.342 5 ↓
Mid Mid (pH 6-8) 1.66 5.75 -94.56 4 4 2 58 244.342 5 ↓

Analogs

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Popular Name: N-(m-tolyl)-N-pyridazin-3-yl-propane-1,3-diamine N-(m-tolyl)-N-pyridazin-3-yl-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) 1.63 5.58 -48.53 3 4 1 57 243.334 5 ↓
Mid Mid (pH 6-8) 1.63 5.75 -94.84 4 4 2 58 244.342 5 ↓
Mid Mid (pH 6-8) 1.63 5.75 -95.55 4 4 2 58 244.342 5 ↓

Analogs

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Popular Name: N-(o-tolyl)-N-pyridazin-3-yl-propane-1,3-diamine N-(o-tolyl)-N-pyridazin-3-yl-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) 1.61 6.29 -44.09 3 4 1 57 243.334 5 ↓
Mid Mid (pH 6-8) 1.61 6.8 -91.91 4 4 2 58 244.342 5 ↓
Mid Mid (pH 6-8) 1.61 6.46 -90.6 4 4 2 58 244.342 5 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-N-pyridazin-3-yl-propane-1,3-diamine N-(4-fluorophenyl)-N-pyridazin-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 5.14 -99.99 4 4 2 58 248.305 5 ↓
Mid Mid (pH 6-8) 1.37 5.84 -101.78 4 4 2 58 248.305 5 ↓
Mid Mid (pH 6-8) 1.37 5.67 -56.94 3 4 1 57 247.297 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.35 5.14 -96.95 4 4 2 58 248.305 5 ↓
Mid Mid (pH 6-8) 1.35 5.13 -97.86 4 4 2 58 248.305 5 ↓
Mid Mid (pH 6-8) 1.35 4.97 -47.43 3 4 1 57 247.297 5 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-N-pyridazin-3-yl-propane-1,3-diamine N-(2-fluorophenyl)-N-pyridazin-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 5.74 -42.49 3 4 1 57 247.297 5 ↓
Mid Mid (pH 6-8) 1.32 5.93 -92.88 4 4 2 58 248.305 5 ↓
Mid Mid (pH 6-8) 1.32 5.92 -87.83 4 4 2 58 248.305 5 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-N-pyridazin-3-yl-propane-1,3-diamine N-(4-methoxyphenyl)-N-pyridazin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.26 4.2 -51.32 3 5 1 66 259.333 6 ↓
Mid Mid (pH 6-8) 1.26 4.37 -98.49 4 5 2 67 260.341 6 ↓
Mid Mid (pH 6-8) 1.26 4.36 -97.16 4 5 2 67 260.341 6 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.24 4.21 -47.33 3 5 1 66 259.333 6 ↓
Mid Mid (pH 6-8) 1.24 4.39 -95.69 4 5 2 67 260.341 6 ↓
Mid Mid (pH 6-8) 1.24 4.37 -94.31 4 5 2 67 260.341 6 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-N-pyridazin-3-yl-propane-1,3-diamine N-(2-methoxyphenyl)-N-pyridazin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.22 5.21 -43.18 3 5 1 66 259.333 6 ↓
Mid Mid (pH 6-8) 1.22 5.23 -90.59 4 5 2 67 260.341 6 ↓
Mid Mid (pH 6-8) 1.22 5.38 -87.57 4 5 2 67 260.341 6 ↓

Analogs

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Popular Name: 3-(N-pyridazin-3-ylanilino)propanenitrile 3-(N-pyridazin-3-ylanilino)propa…

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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) 1.59 7.43 -39.38 1 4 1 54 225.275 4 ↓
Mid Mid (pH 6-8) 1.59 7.26 -10.76 0 4 0 53 224.267 4 ↓
Mid Mid (pH 6-8) 1.59 7.42 -43.41 1 4 1 54 225.275 4 ↓

Analogs

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Popular Name: 3-(N-pyridazin-3-ylanilino)propanethioamide 3-(N-pyridazin-3-ylanilino)propa…

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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) 1.32 5.89 -11.22 2 4 0 55 258.35 5 ↓
Mid Mid (pH 6-8) 1.32 6.06 -41.36 3 4 1 56 259.358 5 ↓
Mid Mid (pH 6-8) 1.32 6.06 -36.24 3 4 1 56 259.358 5 ↓

Analogs

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Popular Name: N1-pyridazin-3-ylbenzene-1,4-diamine N1-pyridazin-3-ylbenzene-1,4-dia…

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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) 1.40 3.24 -10.05 3 4 0 64 186.218 2 ↓
Mid Mid (pH 6-8) 1.40 2.86 -27.91 4 4 1 65 187.226 2 ↓
Mid Mid (pH 6-8) 1.40 3.4 -34.16 4 4 1 65 187.226 2 ↓

Analogs

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Popular Name: N1-pyridazin-3-ylbenzene-1,3-diamine N1-pyridazin-3-ylbenzene-1,3-dia…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.38 2.86 -28.3 4 4 1 65 187.226 2 ↓
Mid Mid (pH 6-8) 1.38 3.41 -35.21 4 4 1 65 187.226 2 ↓
Mid Mid (pH 6-8) 1.38 3.25 -9.93 3 4 0 64 186.218 2 ↓

Analogs

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Popular Name: N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanamidine N'-hydroxy-3-(N-pyridazin-3-ylan…

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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) 1.42 3.73 -10.06 3 6 0 88 257.297 5 ↓
Mid Mid (pH 6-8) 1.42 3.9 -34.55 4 6 1 89 258.305 5 ↓
Mid Mid (pH 6-8) 1.42 3.9 -39.97 4 6 1 89 258.305 5 ↓

Analogs

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Popular Name: 3-(N-pyridazin-3-ylanilino)propanamidine 3-(N-pyridazin-3-ylanilino)propa…

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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 4.45 -40.75 4 5 1 81 242.306 5 ↓
Mid Mid (pH 6-8) 1.49 4.62 -90.44 5 5 2 82 243.314 5 ↓
Mid Mid (pH 6-8) 1.49 4.62 -90.42 5 5 2 82 243.314 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)pyridazin-3-amine N-(3-chloro-4-fluoro-phenyl)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) 3.10 5.55 -34.99 2 3 1 39 224.646 2 ↓
Mid Mid (pH 6-8) 3.10 6.1 -39.06 2 3 1 39 224.646 2 ↓
Mid Mid (pH 6-8) 3.10 5.93 -11.45 1 3 0 38 223.638 2 ↓

Analogs

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Popular Name: 4-chloro-N3-pyridazin-3-yl-benzene-1,3-diamine 4-chloro-N3-pyridazin-3-yl-benze…

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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) 2.01 3.5 -28.84 4 4 1 65 221.671 2 ↓
Mid Mid (pH 6-8) 2.01 3.89 -8.47 3 4 0 64 220.663 2 ↓
Mid Mid (pH 6-8) 2.01 4.06 -35.99 4 4 1 65 221.671 2 ↓

Analogs

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Popular Name: N-(6-chloropyridazin-3-yl)benzene-1,3-diamine N-(6-chloropyridazin-3-yl)benzen…

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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) 2.59 3.62 -12.58 3 4 0 64 220.663 2 ↓

Analogs

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Popular Name: 3-[(6-chloropyridazin-3-yl)-phenyl-amino]propanenitrile 3-[(6-chloropyridazin-3-yl)-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 8.5 -9.75 0 4 0 53 258.712 4 ↓

Analogs

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Popular Name: 2-[(6-chloropyridazin-3-yl)amino]-6-fluoro-benzonitrile 2-[(6-chloropyridazin-3-yl)amino…

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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) 3.36 6.29 -8.93 1 4 0 62 248.648 2 ↓

Analogs

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Popular Name: 6-[2-fluoro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic 6-[2-fluoro-5-(trifluoromethyl)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) 3.15 7.05 -52.28 1 5 -1 78 300.191 4 ↓
Mid Mid (pH 6-8) 3.15 7.18 -28.31 2 5 0 79 301.199 4 ↓

Analogs

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Popular Name: 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridazin-3-amine 6-chloro-N-[2-fluoro-5-(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) 4.53 6.98 -9.01 1 3 0 38 291.635 3 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]pyridazin-3-amine N-[3-(2-aminoethoxy)phenyl]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) 1.16 2.68 -87.89 5 5 2 76 232.287 5 ↓
Hi High (pH 8-9.5) 1.16 2.64 -11.08 3 5 0 73 230.271 5 ↓
Mid Mid (pH 6-8) 1.16 3.07 -49.84 4 5 1 75 231.279 5 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-6-methyl-pyridazin-3-amine N-[3-(2-aminoethoxy)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) 1.41 3.29 -82.24 5 5 2 76 246.314 5 ↓
Hi High (pH 8-9.5) 1.41 3.23 -14.17 3 5 0 73 244.298 5 ↓
Mid Mid (pH 6-8) 1.41 3.67 -46.77 4 5 1 75 245.306 5 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-6-chloro-pyridazin-3-amine N-[3-(2-aminoethoxy)phenyl]-6-ch…

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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 3.48 -50.19 4 5 1 75 265.724 5 ↓
Hi High (pH 8-9.5) 2.38 3.04 -10.31 3 5 0 73 264.716 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) 1.26 3.64 -52.02 4 7 1 101 289.315 7 ↓
Hi High (pH 8-9.5) 1.26 3.2 -11.54 3 7 0 99 288.307 7 ↓

Analogs

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Popular Name: 6-[4-(diethylamino)anilino]pyridazine-3-carboxylic 6-[4-(diethylamino)anilino]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) 3.02 8.27 -70.65 2 6 0 82 286.335 6 ↓
Hi High (pH 8-9.5) 3.02 8.18 -54.31 1 6 -1 81 285.327 6 ↓
Mid Mid (pH 6-8) 3.02 8.39 -66.11 3 6 0 84 287.343 6 ↓

Analogs

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Popular Name: N4-(6-chloropyridazin-3-yl)-N1,N1-diethyl-benzene-1,4-diamine N4-(6-chloropyridazin-3-yl)-N1,N…

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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) 4.39 8.18 -35.14 2 4 0 42 277.779 5 ↓
Mid Mid (pH 6-8) 4.39 8.1 -9.23 1 4 0 41 276.771 5 ↓

Analogs

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Popular Name: 3-fluoro-4-[(6-methoxycarbonylpyridazin-3-yl)amino]benzoic 3-fluoro-4-[(6-methoxycarbonylpy…

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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) 2.42 6.65 -51.17 1 7 -1 104 290.23 5 ↓

Analogs

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Popular Name: 4-[(6-chloropyridazin-3-yl)amino]-3-fluoro-benzoic 4-[(6-chloropyridazin-3-yl)amino…

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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) 3.54 6.47 -51.04 1 5 -1 78 266.639 3 ↓

Analogs

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Popular Name: 6-chloro-N-(4-propylphenyl)pyridazin-3-amine 6-chloro-N-(4-propylphenyl)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) 4.85 8.01 -8.72 1 3 0 38 247.729 4 ↓

Analogs

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Popular Name: N-(4-butylphenyl)-6-chloro-pyridazin-3-amine N-(4-butylphenyl)-6-chloro-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) 5.40 8.78 -8.68 1 3 0 38 261.756 5 ↓

Analogs

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Popular Name: 6-chloro-N-(3-fluoro-4-methoxy-phenyl)pyridazin-3-amine 6-chloro-N-(3-fluoro-4-methoxy-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) 3.69 5.15 -10.47 1 4 0 47 253.664 3 ↓

Analogs

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Popular Name: 6-chloro-N-(3,4-diethoxyphenyl)pyridazin-3-amine 6-chloro-N-(3,4-diethoxyphenyl)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) 3.94 6.83 -11.81 1 5 0 56 293.754 6 ↓

Analogs

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Popular Name: 6-chloro-N-(5-chloro-2,4-dimethoxy-phenyl)pyridazin-3-amine 6-chloro-N-(5-chloro-2,4-dimetho…

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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) 4.19 5.11 -11.37 1 5 0 56 300.145 4 ↓

Analogs

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Popular Name: 6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine 6-chloro-N-[4-(difluoromethoxy)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) 4.15 5.35 -11.14 1 4 0 47 271.654 4 ↓

Analogs

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Popular Name: 6-chloro-N-(4-chloro-2-methoxy-5-methyl-phenyl)pyridazin-3-amine 6-chloro-N-(4-chloro-2-methoxy-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) 4.58 6.37 -7.93 1 4 0 47 284.146 3 ↓

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