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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: 2-[(4-bromo-2-thienyl)methyl]pyridazin-3-one 2-[(4-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) 2.37 5.3 -9.64 0 3 0 35 271.139 2 ↓

Analogs

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Popular Name: 2-[(5-bromo-2-thienyl)methyl]pyridazin-3-one 2-[(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) 2.56 5.42 -10.56 0 3 0 35 271.139 2 ↓

Analogs

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Popular Name: 2-[(3-bromo-2-thienyl)methyl]pyridazin-3-one 2-[(3-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) 2.37 5.23 -9.8 0 3 0 35 271.139 2 ↓

Analogs

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Popular Name: 2-[[4-(3-aminoprop-1-ynyl)-2-thienyl]methyl]pyridazin-3-one 2-[[4-(3-aminoprop-1-ynyl)-2-thi…

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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) 0.56 4.2 -55.74 3 4 1 63 246.315 2 ↓
Mid Mid (pH 6-8) 0.56 3.8 -12.14 2 4 0 61 245.307 2 ↓

Analogs

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Popular Name: 2-[[5-(3-aminoprop-1-ynyl)-2-thienyl]methyl]pyridazin-3-one 2-[[5-(3-aminoprop-1-ynyl)-2-thi…

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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 3.97 -14.05 2 4 0 61 245.307 2 ↓
Mid Mid (pH 6-8) 0.88 4.37 -54.74 3 4 1 63 246.315 2 ↓

Analogs

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Popular Name: 2-[[3-(3-aminoprop-1-ynyl)-2-thienyl]methyl]pyridazin-3-one 2-[[3-(3-aminoprop-1-ynyl)-2-thi…

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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) 0.56 4.13 -57.72 3 4 1 63 246.315 2 ↓
Mid Mid (pH 6-8) 0.56 3.73 -12.6 2 4 0 61 245.307 2 ↓

Analogs

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Popular Name: 2-[[4-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]pyridazin-3-one 2-[[4-(3-hydroxyprop-1-ynyl)-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) 1.13 3.49 -14.36 1 4 0 55 246.291 2 ↓

Analogs

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Popular Name: 2-[[4-(4-hydroxybut-1-ynyl)-2-thienyl]methyl]pyridazin-3-one 2-[[4-(4-hydroxybut-1-ynyl)-2-th…

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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 4.27 -12.56 1 4 0 55 260.318 3 ↓

Analogs

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Popular Name: 2-[[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]pyridazin-3-one 2-[[5-(3-hydroxyprop-1-ynyl)-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) 1.44 3.66 -16.76 1 4 0 55 246.291 2 ↓

Analogs

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Popular Name: 2-[[5-(4-hydroxybut-1-ynyl)-2-thienyl]methyl]pyridazin-3-one 2-[[5-(4-hydroxybut-1-ynyl)-2-th…

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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 4.44 -13.78 1 4 0 55 260.318 3 ↓

Analogs

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Popular Name: 2-[[3-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]pyridazin-3-one 2-[[3-(3-hydroxyprop-1-ynyl)-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) 1.13 3.42 -14.99 1 4 0 55 246.291 2 ↓

Analogs

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Popular Name: 2-[[3-(4-hydroxybut-1-ynyl)-2-thienyl]methyl]pyridazin-3-one 2-[[3-(4-hydroxybut-1-ynyl)-2-th…

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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 4.2 -12.75 1 4 0 55 260.318 3 ↓

Analogs

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Popular Name: (E)-3-[5-[(6-oxopyridazin-1-yl)methyl]-3-thienyl]prop-2-enoic (E)-3-[5-[(6-oxopyridazin-1-yl)m…

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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 6.54 -55.2 0 5 -1 75 261.282 4 ↓
Lo Low (pH 4.5-6) 1.35 4.49 -13.24 1 5 0 72 262.29 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[(6-oxopyridazin-1-yl)methyl]-2-thienyl]prop-2-enoic (E)-3-[5-[(6-oxopyridazin-1-yl)m…

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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 5.13 -60.16 0 5 -1 75 261.282 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[(6-oxopyridazin-1-yl)methyl]-3-thienyl]prop-2-enoic (E)-3-[2-[(6-oxopyridazin-1-yl)m…

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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 6.41 -54.74 0 5 -1 75 261.282 4 ↓
Lo Low (pH 4.5-6) 1.35 4.36 -13.02 1 5 0 72 262.29 4 ↓

Analogs

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Popular Name: 1-[(5-chloro-2-thienyl)methyl]-6-oxo-pyridazine-3-carboxamide 1-[(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) 1.10 2.05 -10.43 2 5 0 78 269.713 3 ↓

Analogs

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Popular Name: 2-[(5-bromo-2-thienyl)methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile 2-[(5-bromo-2-thienyl)methyl]-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) 2.85 6.88 -14.26 0 4 0 59 324.203 2 ↓

Analogs

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Popular Name: 2-[(5-bromo-2-thienyl)methyl]-4,5-dichloro-pyridazin-3-one 2-[(5-bromo-2-thienyl)methyl]-4,…

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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) 3.78 6.39 -8.06 0 3 0 35 340.029 2 ↓

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