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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]pyridazin-3-amine N-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 2.18 6.41 -9.24 1 3 0 38 233.34 3 ↓
Mid Mid (pH 6-8) 2.18 6.59 -31.49 2 3 1 39 234.348 3 ↓
Mid Mid (pH 6-8) 2.18 6.58 -34.85 2 3 1 39 234.348 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]pyridazin-3-amine N-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 2.18 6.43 -9.18 1 3 0 38 233.34 3 ↓
Mid Mid (pH 6-8) 2.18 6.6 -31.6 2 3 1 39 234.348 3 ↓
Mid Mid (pH 6-8) 2.18 6.6 -34.95 2 3 1 39 234.348 3 ↓

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) 1.27 4.64 -9.44 1 5 0 64 249.295 5 ↓
Lo Low (pH 4.5-6) 1.27 4.81 -31.09 2 5 1 65 250.303 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-thienyl)ethyl]pyridazin-3-amine N-[(1S)-1-(3-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) 1.74 4.84 -8.37 1 3 0 38 205.286 3 ↓
Mid Mid (pH 6-8) 1.74 5.01 -33.79 2 3 1 39 206.294 3 ↓
Mid Mid (pH 6-8) 1.74 5 -30.74 2 3 1 39 206.294 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-thienyl)ethyl]pyridazin-3-amine N-[(1R)-1-(3-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) 1.74 4.83 -8.37 1 3 0 38 205.286 3 ↓
Mid Mid (pH 6-8) 1.74 5 -33.78 2 3 1 39 206.294 3 ↓
Mid Mid (pH 6-8) 1.74 5 -30.77 2 3 1 39 206.294 3 ↓

Analogs

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Popular Name: 6-methyl-N-[(1S)-1-(3-thienyl)ethyl]pyridazin-3-amine 6-methyl-N-[(1S)-1-(3-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) 1.99 5.55 -30.12 2 3 1 39 220.321 3 ↓
Mid Mid (pH 6-8) 1.99 5.44 -8.56 1 3 0 38 219.313 3 ↓
Mid Mid (pH 6-8) 1.99 5.6 -29.55 2 3 1 39 220.321 3 ↓

Analogs

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Popular Name: 6-methyl-N-[(1R)-1-(3-thienyl)ethyl]pyridazin-3-amine 6-methyl-N-[(1R)-1-(3-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) 1.99 5.55 -30.11 2 3 1 39 220.321 3 ↓
Mid Mid (pH 6-8) 1.99 5.6 -29.53 2 3 1 39 220.321 3 ↓
Mid Mid (pH 6-8) 1.99 5.44 -8.56 1 3 0 38 219.313 3 ↓

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) 1.84 5.42 -9.2 1 5 0 64 263.322 5 ↓
Lo Low (pH 4.5-6) 1.84 5.58 -30.68 2 5 1 65 264.33 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) 1.84 5.41 -9.21 1 5 0 64 263.322 5 ↓
Lo Low (pH 4.5-6) 1.84 5.58 -30.66 2 5 1 65 264.33 5 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-(3-thienyl)ethyl]pyridazin-3-amine 6-chloro-N-[(1S)-1-(3-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) 2.95 5.26 -7.75 1 3 0 38 239.731 3 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-(3-thienyl)ethyl]pyridazin-3-amine 6-chloro-N-[(1R)-1-(3-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) 2.95 5.24 -7.77 1 3 0 38 239.731 3 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(1S)-1-(3-thienyl)ethyl]amino]pyridazine-4-carbonitrile 5,6-dimethyl-3-[[(1S)-1-(3-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) 2.43 6.54 -6.68 1 4 0 62 258.35 3 ↓
Lo Low (pH 4.5-6) 2.43 6.65 -33.99 2 4 1 63 259.358 3 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(1R)-1-(3-thienyl)ethyl]amino]pyridazine-4-carbonitrile 5,6-dimethyl-3-[[(1R)-1-(3-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) 2.43 6.54 -6.67 1 4 0 62 258.35 3 ↓
Lo Low (pH 4.5-6) 2.43 6.65 -33.98 2 4 1 63 259.358 3 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(1S)-1-(3-thienyl)ethyl]amino]pyridazine-4-carbothioamide 5,6-dimethyl-3-[[(1S)-1-(3-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) 2.48 5.39 -12.39 3 4 0 64 292.433 4 ↓
Mid Mid (pH 6-8) 2.48 5.5 -36.91 4 4 1 65 293.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-3-[[(1R)-1-(3-thienyl)ethyl]amino]pyridazine-4-carbothioamide 5,6-dimethyl-3-[[(1R)-1-(3-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) 2.48 5.39 -13.27 3 4 0 64 292.433 4 ↓
Mid Mid (pH 6-8) 2.48 5.5 -38.14 4 4 1 65 293.441 4 ↓

Analogs

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Popular Name: 6-[[(1S)-1-(3-thienyl)ethyl]amino]pyridazine-3-carboxylic 6-[[(1S)-1-(3-thienyl)ethyl]amin…

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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 5.36 -51.02 1 5 -1 78 248.287 4 ↓
Mid Mid (pH 6-8) 1.57 5.49 -26.81 2 5 0 79 249.295 4 ↓

Analogs

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Popular Name: 6-[[(1R)-1-(3-thienyl)ethyl]amino]pyridazine-3-carboxylic 6-[[(1R)-1-(3-thienyl)ethyl]amin…

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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 5.35 -51.01 1 5 -1 78 248.287 4 ↓
Mid Mid (pH 6-8) 1.57 5.48 -26.76 2 5 0 79 249.295 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(1S)-1-(3-thienyl)ethyl]amino]pyridazine-4-carboxylic 5,6-dimethyl-3-[[(1S)-1-(3-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) 2.25 7.06 -39.63 2 5 0 79 277.349 4 ↓
Mid Mid (pH 6-8) 2.25 6.94 -47.46 1 5 -1 78 276.341 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(1R)-1-(3-thienyl)ethyl]amino]pyridazine-4-carboxylic 5,6-dimethyl-3-[[(1R)-1-(3-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) 2.25 7.06 -39.65 2 5 0 79 277.349 4 ↓
Mid Mid (pH 6-8) 2.25 6.94 -47.38 1 5 -1 78 276.341 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) 2.45 7.42 -8.8 0 5 0 55 342.218 5 ↓
Lo Low (pH 4.5-6) 2.45 7.59 -31.81 1 5 1 57 343.226 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-6-methyl-pyridazin-3-amine N-[(1S)-1-(2,5-dimethyl-3-thieny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 7.03 -9.43 1 3 0 38 247.367 3 ↓
Lo Low (pH 4.5-6) 2.43 7.21 -30.34 2 3 1 39 248.375 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-6-methyl-pyridazin-3-amine N-[(1R)-1-(2,5-dimethyl-3-thieny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 7.02 -9.46 1 3 0 38 247.367 3 ↓
Lo Low (pH 4.5-6) 2.43 7.18 -30.24 2 3 1 39 248.375 3 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]pyridazin-3-amine 6-chloro-N-[(1R)-1-(2,5-dimethyl…

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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) 3.40 6.83 -8.54 1 3 0 38 267.785 3 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]pyridazin-3-amine 6-chloro-N-[(1S)-1-(2,5-dimethyl…

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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) 3.40 6.84 -8.56 1 3 0 38 267.785 3 ↓

Analogs

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Popular Name: 3-[[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[(1R)-1-(2,5-dimethyl-3-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) 2.92 6.97 -13.1 3 4 0 64 320.487 4 ↓
Lo Low (pH 4.5-6) 2.92 7.06 -35.28 4 4 1 65 321.495 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[(1S)-1-(2,5-dimethyl-3-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) 2.92 7 -13.15 3 4 0 64 320.487 4 ↓
Lo Low (pH 4.5-6) 2.92 7.08 -34.61 4 4 1 65 321.495 4 ↓

Analogs

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Popular Name: 6-[[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]pyridazine-3-carboxylic 6-[[(1R)-1-(2,5-dimethyl-3-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) 2.02 6.93 -51.53 1 5 -1 78 276.341 4 ↓
Lo Low (pH 4.5-6) 2.02 7.09 -40.53 2 5 0 79 277.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]pyridazine-3-carboxylic 6-[[(1S)-1-(2,5-dimethyl-3-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) 2.02 6.94 -51.55 1 5 -1 78 276.341 4 ↓
Lo Low (pH 4.5-6) 2.02 7.11 -40.59 2 5 0 79 277.349 4 ↓

Analogs

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Popular Name: 3-[(5-bromo-3-thienyl)methylamino]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[(5-bromo-3-thienyl)methylamin…

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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 6.42 -6.83 1 4 0 62 323.219 3 ↓

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