UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-methyl-6-(methylaminomethyl)-N-[(1S)-1-(2-thienyl)ethyl]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) 2.12 6.39 -42.82 2 4 1 46 263.39 5 ↓
Hi High (pH 8-9.5) 2.12 4.94 -9.24 1 4 0 41 262.382 5 ↓
Lo Low (pH 4.5-6) 2.12 6.51 -96.94 3 4 2 47 264.398 5 ↓

Analogs

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Popular Name: N-methyl-6-(methylaminomethyl)-N-[(1R)-1-(2-thienyl)ethyl]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) 2.12 6.37 -43.68 2 4 1 46 263.39 5 ↓
Hi High (pH 8-9.5) 2.12 4.92 -9.79 1 4 0 41 262.382 5 ↓
Lo Low (pH 4.5-6) 2.12 6.54 -96.09 3 4 2 47 264.398 5 ↓

Analogs

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Popular Name: 6-(ethylaminomethyl)-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]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) 2.49 7.28 -41.71 2 4 1 46 277.417 6 ↓
Hi High (pH 8-9.5) 2.49 5.9 -7.32 1 4 0 41 276.409 6 ↓
Lo Low (pH 4.5-6) 2.49 7.4 -97.18 3 4 2 47 278.425 6 ↓

Analogs

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Popular Name: 6-(ethylaminomethyl)-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]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) 2.49 7.3 -41.01 2 4 1 46 277.417 6 ↓
Hi High (pH 8-9.5) 2.49 5.92 -7.23 1 4 0 41 276.409 6 ↓
Lo Low (pH 4.5-6) 2.49 7.34 -96.7 3 4 2 47 278.425 6 ↓

Analogs

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Popular Name: N-methyl-6-(propylaminomethyl)-N-[(1S)-1-(2-thienyl)ethyl]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) 3.00 8.03 -42.46 2 4 1 46 291.444 7 ↓
Hi High (pH 8-9.5) 3.00 6.66 -7.23 1 4 0 41 290.436 7 ↓
Lo Low (pH 4.5-6) 3.00 8.15 -99.04 3 4 2 47 292.452 7 ↓

Analogs

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Popular Name: N-methyl-6-(propylaminomethyl)-N-[(1R)-1-(2-thienyl)ethyl]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) 3.00 8.05 -41.8 2 4 1 46 291.444 7 ↓
Hi High (pH 8-9.5) 3.00 6.69 -7.04 1 4 0 41 290.436 7 ↓
Lo Low (pH 4.5-6) 3.00 8.09 -98.57 3 4 2 47 292.452 7 ↓

Analogs

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Popular Name: 6-[(isopropylamino)methyl]-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]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) 2.79 7.77 -39.96 2 4 1 46 291.444 6 ↓
Hi High (pH 8-9.5) 2.79 6.58 -8.9 1 4 0 41 290.436 6 ↓
Lo Low (pH 4.5-6) 2.79 7.89 -95.84 3 4 2 47 292.452 6 ↓

Analogs

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Popular Name: 6-[(isopropylamino)methyl]-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]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) 2.79 7.75 -40.77 2 4 1 46 291.444 6 ↓
Hi High (pH 8-9.5) 2.79 6.56 -9.36 1 4 0 41 290.436 6 ↓
Lo Low (pH 4.5-6) 2.79 7.92 -94.99 3 4 2 47 292.452 6 ↓

Analogs

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Popular Name: 6-[(tert-butylamino)methyl]-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]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) 3.30 7.04 -29.48 2 4 1 42 305.471 6 ↓
Hi High (pH 8-9.5) 3.30 6.92 -8.69 1 4 0 41 304.463 6 ↓
Lo Low (pH 4.5-6) 3.30 8.31 -94.61 3 4 2 47 306.479 6 ↓

Analogs

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Popular Name: 6-[(tert-butylamino)methyl]-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]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) 3.30 7.07 -29.74 2 4 1 42 305.471 6 ↓
Hi High (pH 8-9.5) 3.30 6.95 -9.21 1 4 0 41 304.463 6 ↓
Lo Low (pH 4.5-6) 3.30 8.34 -93.82 3 4 2 47 306.479 6 ↓

Analogs

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Popular Name: 6-[(isobutylamino)methyl]-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]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) 3.24 8.7 -42.99 2 4 1 46 305.471 7 ↓
Hi High (pH 8-9.5) 3.24 7.32 -8.83 1 4 0 41 304.463 7 ↓
Lo Low (pH 4.5-6) 3.24 8.81 -99.77 3 4 2 47 306.479 7 ↓

Analogs

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Popular Name: 6-[(isobutylamino)methyl]-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]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) 3.24 8.68 -43.77 2 4 1 46 305.471 7 ↓
Hi High (pH 8-9.5) 3.24 7.3 -9.26 1 4 0 41 304.463 7 ↓
Lo Low (pH 4.5-6) 3.24 8.84 -98.98 3 4 2 47 306.479 7 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-methyl-6-(methylaminomethyl)pyridazin-3-amine N-[(5-chloro-2-thienyl)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) 2.36 6.73 -41.9 2 4 1 46 283.808 5 ↓
Hi High (pH 8-9.5) 2.36 5.27 -8.9 1 4 0 41 282.8 5 ↓
Lo Low (pH 4.5-6) 2.36 6.82 -96.82 3 4 2 47 284.816 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-6-(ethylaminomethyl)-N-methyl-pyridazin-3-amine N-[(5-chloro-2-thienyl)methyl]-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) 2.74 7.59 -41.16 2 4 1 46 297.835 6 ↓
Hi High (pH 8-9.5) 2.74 6.21 -8.68 1 4 0 41 296.827 6 ↓
Lo Low (pH 4.5-6) 2.74 7.68 -97.17 3 4 2 47 298.843 6 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-methyl-6-(propylaminomethyl)pyridazin-3-amine N-[(5-chloro-2-thienyl)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) 3.24 8.34 -41.9 2 4 1 46 311.862 7 ↓
Hi High (pH 8-9.5) 3.24 6.97 -8.58 1 4 0 41 310.854 7 ↓
Lo Low (pH 4.5-6) 3.24 8.44 -99.04 3 4 2 47 312.87 7 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-6-[(isopropylamino)methyl]-N-methyl-pyridazin-3-amine N-[(5-chloro-2-thienyl)methyl]-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) 3.03 8.11 -39.11 2 4 1 46 311.862 6 ↓
Hi High (pH 8-9.5) 3.03 6.89 -8.48 1 4 0 41 310.854 6 ↓
Lo Low (pH 4.5-6) 3.03 8.21 -96.48 3 4 2 47 312.87 6 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-6-[(isobutylamino)methyl]-N-methyl-pyridazin-3-amine N-[(5-chloro-2-thienyl)methyl]-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) 3.48 9.03 -42 2 4 1 46 325.889 7 ↓
Hi High (pH 8-9.5) 3.48 7.66 -8.51 1 4 0 41 324.881 7 ↓
Lo Low (pH 4.5-6) 3.48 9.13 -100.02 3 4 2 47 326.897 7 ↓

Analogs

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Popular Name: N-(2-thienylmethyl)pyridazin-3-amine N-(2-thienylmethyl)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) 1.49 4.28 -8.65 1 3 0 38 191.259 3 ↓
Mid Mid (pH 6-8) 1.49 4.44 -33.76 2 3 1 39 192.267 3 ↓
Mid Mid (pH 6-8) 1.49 4.45 -30.56 2 3 1 39 192.267 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)ethyl]pyridazin-3-amine N-[(1S)-1-(2-thienyl)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) 2.05 4.99 -8.94 1 3 0 38 205.286 3 ↓
Mid Mid (pH 6-8) 2.05 5.16 -34.14 2 3 1 39 206.294 3 ↓
Mid Mid (pH 6-8) 2.05 5.15 -30.14 2 3 1 39 206.294 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-thienyl)ethyl]pyridazin-3-amine N-[(1R)-1-(2-thienyl)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) 2.05 4.98 -8.95 1 3 0 38 205.286 3 ↓
Mid Mid (pH 6-8) 2.05 5.15 -30.15 2 3 1 39 206.294 3 ↓
Mid Mid (pH 6-8) 2.05 5.16 -34.16 2 3 1 39 206.294 3 ↓

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]pyridazin-3-amine N-[(5-bromo-2-thienyl)methyl]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) 2.42 5.01 -8.82 1 3 0 38 270.155 3 ↓
Mid Mid (pH 6-8) 2.42 5.18 -33.37 2 3 1 39 271.163 3 ↓
Mid Mid (pH 6-8) 2.42 5.17 -35.85 2 3 1 39 271.163 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]pyridazin-3-amine N-[(1S)-1-(5-chloro-2-thienyl)et…

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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 5.61 -9.2 1 3 0 38 239.731 3 ↓
Mid Mid (pH 6-8) 2.85 5.79 -36.13 2 3 1 39 240.739 3 ↓
Mid Mid (pH 6-8) 2.85 5.78 -32.58 2 3 1 39 240.739 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]pyridazin-3-amine N-[(1R)-1-(5-chloro-2-thienyl)et…

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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 5.61 -9.18 1 3 0 38 239.731 3 ↓
Mid Mid (pH 6-8) 2.85 5.78 -32.55 2 3 1 39 240.739 3 ↓
Mid Mid (pH 6-8) 2.85 5.78 -36.15 2 3 1 39 240.739 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(5-methyl-2-thienyl)ethyl]pyridazin-3-amine N-[(1R)-1-(5-methyl-2-thienyl)et…

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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 5.81 -9.09 1 3 0 38 219.313 3 ↓
Mid Mid (pH 6-8) 2.27 5.99 -30.11 2 3 1 39 220.321 3 ↓
Mid Mid (pH 6-8) 2.27 5.98 -34.28 2 3 1 39 220.321 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(5-methyl-2-thienyl)ethyl]pyridazin-3-amine N-[(1S)-1-(5-methyl-2-thienyl)et…

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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 5.82 -9.11 1 3 0 38 219.313 3 ↓
Mid Mid (pH 6-8) 2.27 5.99 -34.28 2 3 1 39 220.321 3 ↓
Mid Mid (pH 6-8) 2.27 5.98 -30.16 2 3 1 39 220.321 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)propyl]pyridazin-3-amine N-[(1S)-1-(2-thienyl)propyl]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) 2.55 5.13 -8.85 1 3 0 38 219.313 4 ↓
Mid Mid (pH 6-8) 2.55 5.3 -29.76 2 3 1 39 220.321 4 ↓
Mid Mid (pH 6-8) 2.55 5.3 -34 2 3 1 39 220.321 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-thienyl)propyl]pyridazin-3-amine N-[(1R)-1-(2-thienyl)propyl]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) 2.55 5.85 -8 1 3 0 38 219.313 4 ↓
Mid Mid (pH 6-8) 2.55 6.03 -32.39 2 3 1 39 220.321 4 ↓
Mid Mid (pH 6-8) 2.55 5.3 -29.77 2 3 1 39 220.321 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)butyl]pyridazin-3-amine N-[(1S)-1-(2-thienyl)butyl]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) 3.11 5.88 -8.81 1 3 0 38 233.34 5 ↓
Mid Mid (pH 6-8) 3.11 6.82 -29.73 2 3 1 39 234.348 5 ↓
Mid Mid (pH 6-8) 3.11 6.05 -34.42 2 3 1 39 234.348 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-thienyl)butyl]pyridazin-3-amine N-[(1R)-1-(2-thienyl)butyl]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) 3.11 6.62 -7.94 1 3 0 38 233.34 5 ↓
Mid Mid (pH 6-8) 3.11 6.82 -29.71 2 3 1 39 234.348 5 ↓
Mid Mid (pH 6-8) 3.11 6.8 -32.71 2 3 1 39 234.348 5 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]pyridazin-3-amine N-[(1S)-2-methyl-1-(2-thienyl)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) 2.79 6.42 -8.03 1 3 0 38 233.34 4 ↓
Mid Mid (pH 6-8) 2.79 6.38 -30.52 2 3 1 39 234.348 4 ↓
Mid Mid (pH 6-8) 2.79 6.64 -32.84 2 3 1 39 234.348 4 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]pyridazin-3-amine N-[(1R)-2-methyl-1-(2-thienyl)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) 2.79 6.37 -7.75 1 3 0 38 233.34 4 ↓
Mid Mid (pH 6-8) 2.79 6.02 -30.13 2 3 1 39 234.348 4 ↓
Mid Mid (pH 6-8) 2.79 6.41 -34.41 2 3 1 39 234.348 4 ↓

Analogs

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Popular Name: N-[(5-methyl-2-thienyl)methyl]pyridazin-3-amine N-[(5-methyl-2-thienyl)methyl]py…

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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) 1.71 5.11 -8.76 1 3 0 38 205.286 3 ↓
Mid Mid (pH 6-8) 1.71 5.28 -33.81 2 3 1 39 206.294 3 ↓
Mid Mid (pH 6-8) 1.71 5.29 -30.53 2 3 1 39 206.294 3 ↓

Analogs

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Popular Name: 5-[[(4-cyano-5,6-dimethyl-pyridazin-3-yl)amino]methyl]-N-methyl-thiophene-2-sulfonamide 5-[[(4-cyano-5,6-dimethyl-pyrida…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 2.12 -13.55 2 7 0 108 337.43 5 ↓
Lo Low (pH 4.5-6) 1.54 2.23 -44.56 3 7 1 109 338.438 5 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2-thienylmethyl)pyridazin-3-amine 4-(aminomethyl)-N-ethyl-5,6-dime…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 6.09 -28.11 3 4 1 56 277.417 5 ↓
Hi High (pH 8-9.5) 2.23 5.89 -6.62 2 4 0 55 276.409 5 ↓
Mid Mid (pH 6-8) 2.23 6.09 -23.78 3 4 1 56 277.417 5 ↓

Analogs

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Popular Name: 3-[ethyl(2-thienylmethyl)amino]-5,6-dimethyl-pyridazine-4-carboxamidine 3-[ethyl(2-thienylmethyl)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) 1.44 5.73 -30.62 4 5 1 80 290.416 5 ↓
Mid Mid (pH 6-8) 1.44 5.55 -43.14 4 5 1 81 290.416 5 ↓
Lo Low (pH 4.5-6) 1.44 5.66 -95.45 5 5 2 82 291.424 5 ↓

Analogs

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Popular Name: 3-[ethyl(2-thienylmethyl)amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[ethyl(2-thienylmethyl)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) 2.85 7.48 -13.37 2 4 0 55 306.46 5 ↓
Lo Low (pH 4.5-6) 2.85 7.65 -31.24 3 4 1 56 307.468 5 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-[(5-chloro-2-thienyl)methyl]-N,5,6-trimethyl-pyridazin-3-amine 4-(aminomethyl)-N-[(5-chloro-2-t…

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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) 2.66 5.93 -28.53 3 4 1 56 297.835 4 ↓
Hi High (pH 8-9.5) 2.66 5.81 -10.01 2 4 0 55 296.827 4 ↓
Mid Mid (pH 6-8) 2.66 5.95 -25.26 3 4 1 56 297.835 4 ↓

Analogs

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Popular Name: 6-methyl-N-[(1S)-1-(2-thienyl)propyl]pyridazin-3-amine 6-methyl-N-[(1S)-1-(2-thienyl)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) 2.80 5.74 -9.12 1 3 0 38 233.34 4 ↓
Lo Low (pH 4.5-6) 2.80 5.9 -28.36 2 3 1 39 234.348 4 ↓

Analogs

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Popular Name: 6-methyl-N-[(1R)-1-(2-thienyl)propyl]pyridazin-3-amine 6-methyl-N-[(1R)-1-(2-thienyl)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) 2.80 6.46 -8.21 1 3 0 38 233.34 4 ↓
Lo Low (pH 4.5-6) 2.80 6.62 -27.82 2 3 1 39 234.348 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) 2.65 5.72 -9.34 1 5 0 64 277.349 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) 2.65 6.44 -8.81 1 5 0 64 277.349 6 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-(2-thienyl)propyl]pyridazin-3-amine 6-chloro-N-[(1S)-1-(2-thienyl)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) 3.77 5.54 -8.18 1 3 0 38 253.758 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-(2-thienyl)propyl]pyridazin-3-amine 6-chloro-N-[(1R)-1-(2-thienyl)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) 3.77 6.27 -7.35 1 3 0 38 253.758 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(1S)-1-(2-thienyl)propyl]amino]pyridazine-4-carbonitrile 5,6-dimethyl-3-[[(1S)-1-(2-thien…

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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) 3.24 7.25 -6.32 1 4 0 62 272.377 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(1R)-1-(2-thienyl)propyl]amino]pyridazine-4-carbonitrile 5,6-dimethyl-3-[[(1R)-1-(2-thien…

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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) 3.24 7.25 -6.34 1 4 0 62 272.377 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(1S)-1-(2-thienyl)propyl]amino]pyridazine-4-carbothioamide 5,6-dimethyl-3-[[(1S)-1-(2-thien…

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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 5.99 -11.9 3 4 0 64 306.46 5 ↓
Lo Low (pH 4.5-6) 3.29 6.06 -33.36 4 4 1 65 307.468 5 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(1R)-1-(2-thienyl)propyl]amino]pyridazine-4-carbothioamide 5,6-dimethyl-3-[[(1R)-1-(2-thien…

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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 5.99 -12.06 3 4 0 64 306.46 5 ↓
Lo Low (pH 4.5-6) 3.29 6.07 -33.55 4 4 1 65 307.468 5 ↓

Analogs

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Popular Name: 6-[[(1S)-1-(2-thienyl)propyl]amino]pyridazine-3-carboxylic 6-[[(1S)-1-(2-thienyl)propyl]ami…

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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) 2.39 5.66 -51.73 1 5 -1 78 262.314 5 ↓
Lo Low (pH 4.5-6) 2.39 5.81 -38.51 2 5 0 79 263.322 5 ↓

Analogs

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Popular Name: 6-[[(1R)-1-(2-thienyl)propyl]amino]pyridazine-3-carboxylic 6-[[(1R)-1-(2-thienyl)propyl]ami…

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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) 2.39 6.38 -51.07 1 5 -1 78 262.314 5 ↓
Lo Low (pH 4.5-6) 2.39 6.53 -39.21 2 5 0 79 263.322 5 ↓

Analogs

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Popular Name: 6-methyl-N-[(1S)-1-(2-thienyl)butyl]pyridazin-3-amine 6-methyl-N-[(1S)-1-(2-thienyl)bu…

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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 6.48 -8.98 1 3 0 38 247.367 5 ↓
Lo Low (pH 4.5-6) 3.36 7.42 -28.37 2 3 1 39 248.375 5 ↓

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