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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one 6-ethyl-2,5,7,8-tetrahydropyrido…

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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 1.08 -65.95 1 4 0 53 179.223 1 ↓
Hi High (pH 8-9.5) 0.91 -1.2 -48.12 0 4 -1 52 178.215 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-propyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one 6-propyl-2,5,7,8-tetrahydropyrid…

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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 1.83 -65.91 1 4 0 53 193.25 2 ↓
Hi High (pH 8-9.5) 1.42 -0.45 -48 0 4 -1 52 192.242 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one 6-methyl-2,5,7,8-tetrahydropyrid…

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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) 0.54 0.41 -67.96 1 4 0 53 165.196 0 ↓
Hi High (pH 8-9.5) 0.54 -1.99 -48.21 0 4 -1 52 164.188 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-isopropyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one 6-isopropyl-2,5,7,8-tetrahydropy…

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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 1.58 -62.69 1 4 0 53 193.25 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-phenethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one 6-phenethyl-2,5,7,8-tetrahydropy…

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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) 2.34 4.85 -69.31 1 4 0 53 255.321 3 ↓
Hi High (pH 8-9.5) 2.34 2.57 -48.82 0 4 -1 52 254.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine 3-chloro-6-ethyl-7,8-dihydro-5H-…

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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) 1.81 2.72 -6.03 0 3 0 29 197.669 1 ↓
Mid Mid (pH 6-8) 1.81 5.01 -47.26 1 3 1 30 198.677 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine 3-chloro-6-propyl-7,8-dihydro-5H…

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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) 2.31 3.47 -5.9 0 3 0 29 211.696 2 ↓
Mid Mid (pH 6-8) 2.31 5.75 -48.08 1 3 1 30 212.704 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Chloro-6-methyl-5,6,7,8-tetrahydro-pyrido[4,3-c]pyridazine 3-Chloro-6-methyl-5,6,7,8-tetrah…

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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 1.93 -6.35 0 3 0 29 183.642 0 ↓
Mid Mid (pH 6-8) 1.44 4.34 -48.98 1 3 1 30 184.65 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-isopropyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine 3-chloro-6-isopropyl-7,8-dihydro…

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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) 2.11 3.29 -5.89 0 3 0 29 211.696 1 ↓
Mid Mid (pH 6-8) 2.11 5.5 -45.23 1 3 1 30 212.704 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-ethyl-7,8-dihydro-5H-pyrido[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) 0.62 3.36 -44.44 3 4 1 56 179.247 1 ↓
Hi High (pH 8-9.5) 0.62 1.08 -7.73 2 4 0 55 178.239 1 ↓
Lo Low (pH 4.5-6) 0.62 3.48 -95.53 4 4 2 57 180.255 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-propyl-7,8-dihydro-5H-pyrido[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) 1.12 4.11 -45.1 3 4 1 56 193.274 2 ↓
Hi High (pH 8-9.5) 1.12 1.83 -7.61 2 4 0 55 192.266 2 ↓
Lo Low (pH 4.5-6) 1.12 4.22 -97.52 4 4 2 57 194.282 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-methyl-7,8-dihydro-5H-pyrido[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) 0.24 2.69 -46.16 3 4 1 56 165.22 0 ↓
Hi High (pH 8-9.5) 0.24 0.29 -8.04 2 4 0 55 164.212 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-isopropyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-isopropyl-7,8-dihydro-5H-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 3.86 -42.46 3 4 1 56 193.274 1 ↓
Hi High (pH 8-9.5) 0.91 1.65 -7.62 2 4 0 55 192.266 1 ↓
Lo Low (pH 4.5-6) 0.91 3.97 -94.63 4 4 2 57 194.282 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-phenethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-phenethyl-7,8-dihydro-5H-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) 2.04 7.13 -51.1 3 4 1 56 255.345 3 ↓
Hi High (pH 8-9.5) 2.04 4.85 -8.87 2 4 0 55 254.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-N-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-ethyl-N-methyl-7,8-dihydro-5H-…

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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) 0.99 4.27 -44.4 2 4 1 42 193.274 2 ↓
Lo Low (pH 4.5-6) 0.99 4.39 -94.93 3 4 2 43 194.282 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine N-methyl-6-propyl-7,8-dihydro-5H…

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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 5.01 -45.09 2 4 1 42 207.301 3 ↓
Lo Low (pH 4.5-6) 1.49 5.13 -96.92 3 4 2 43 208.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine N,6-dimethyl-7,8-dihydro-5H-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) 0.62 3.6 -46.08 2 4 1 42 179.247 1 ↓
Lo Low (pH 4.5-6) 0.62 3.72 -95.43 3 4 2 43 180.255 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-benzyl-N-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-benzyl-N-methyl-7,8-dihydro-5H…

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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 7.36 -96.41 3 4 2 43 256.353 3 ↓
Hi High (pH 8-9.5) 2.01 4.91 -8.84 1 4 0 41 254.337 3 ↓
Mid Mid (pH 6-8) 2.01 7.18 -48.3 2 4 1 42 255.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-isopropyl-N-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-isopropyl-N-methyl-7,8-dihydro…

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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) 1.29 4.76 -42.37 2 4 1 42 207.301 2 ↓
Lo Low (pH 4.5-6) 1.29 4.94 -88.98 3 4 2 43 208.309 2 ↓
Lo Low (pH 4.5-6) 1.29 4.88 -93.93 3 4 2 43 208.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-6-phenethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine N-methyl-6-phenethyl-7,8-dihydro…

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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 8.04 -50.96 2 4 1 42 269.372 4 ↓
Lo Low (pH 4.5-6) 2.42 8.15 -106.77 3 4 2 43 270.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,6-diethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine N,6-diethyl-7,8-dihydro-5H-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) 1.37 5.08 -44.17 2 4 1 42 207.301 3 ↓
Hi High (pH 8-9.5) 1.37 2.8 -7.35 1 4 0 41 206.293 3 ↓
Lo Low (pH 4.5-6) 1.37 5.2 -95.54 3 4 2 43 208.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine N-ethyl-6-propyl-7,8-dihydro-5H-…

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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) 1.87 5.83 -44.8 2 4 1 42 221.328 4 ↓
Hi High (pH 8-9.5) 1.87 3.55 -7.13 1 4 0 41 220.32 4 ↓
Lo Low (pH 4.5-6) 1.87 5.94 -97.52 3 4 2 43 222.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine N-ethyl-6-methyl-7,8-dihydro-5H-…

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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) 0.99 4.59 -91.12 3 4 2 43 194.282 2 ↓
Hi High (pH 8-9.5) 0.99 2.01 -7.58 1 4 0 41 192.266 2 ↓
Mid Mid (pH 6-8) 0.99 4.41 -45.88 2 4 1 42 193.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-6-isopropyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine N-ethyl-6-isopropyl-7,8-dihydro-…

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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 -42.14 2 4 1 42 221.328 3 ↓
Lo Low (pH 4.5-6) 1.66 5.76 -89.45 3 4 2 43 222.336 3 ↓
Lo Low (pH 4.5-6) 1.66 5.71 -94.63 3 4 2 43 222.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-ethyl-N-propyl-7,8-dihydro-5H-…

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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) 1.87 5.85 -43.99 2 4 1 42 221.328 4 ↓
Hi High (pH 8-9.5) 1.87 3.57 -7.02 1 4 0 41 220.32 4 ↓
Lo Low (pH 4.5-6) 1.87 5.96 -95.99 3 4 2 43 222.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,6-dipropyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine N,6-dipropyl-7,8-dihydro-5H-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) 2.37 6.59 -44.64 2 4 1 42 235.355 5 ↓
Hi High (pH 8-9.5) 2.37 4.32 -6.83 1 4 0 41 234.347 5 ↓
Lo Low (pH 4.5-6) 2.37 6.71 -98.01 3 4 2 43 236.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-methyl-N-propyl-7,8-dihydro-5H…

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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 5.35 -91.79 3 4 2 43 208.309 3 ↓
Hi High (pH 8-9.5) 1.49 2.77 -7.28 1 4 0 41 206.293 3 ↓
Mid Mid (pH 6-8) 1.49 5.18 -45.69 2 4 1 42 207.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-benzyl-N-propyl-7,8-dihydro-5H…

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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) 2.89 8.76 -47.88 2 4 1 42 283.399 5 ↓
Hi High (pH 8-9.5) 2.89 6.49 -8.04 1 4 0 41 282.391 5 ↓
Lo Low (pH 4.5-6) 2.89 8.88 -103.68 3 4 2 43 284.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-isopropyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)hydrazine (6-isopropyl-7,8-dihydro-5H-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) 0.67 3.8 -96.06 5 5 2 70 209.297 2 ↓
Hi High (pH 8-9.5) 0.67 1.47 -8.71 3 5 0 67 207.281 2 ↓
Mid Mid (pH 6-8) 0.67 3.69 -44.08 4 5 1 68 208.289 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-phenethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)hydrazine (6-phenethyl-7,8-dihydro-5H-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) 1.80 7.08 -108.88 5 5 2 70 271.368 4 ↓
Hi High (pH 8-9.5) 1.80 4.68 -10.07 3 5 0 67 269.352 4 ↓
Mid Mid (pH 6-8) 1.80 6.96 -52.79 4 5 1 68 270.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-ethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)hydrazine (6-ethyl-7,8-dihydro-5H-pyrido[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) 0.38 3.31 -96.93 5 5 2 70 195.27 2 ↓
Hi High (pH 8-9.5) 0.38 0.91 -8.97 3 5 0 67 193.254 2 ↓
Mid Mid (pH 6-8) 0.38 3.19 -46.06 4 5 1 68 194.262 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)hydrazine (6-propyl-7,8-dihydro-5H-pyrido[…

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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 4.05 -98.94 5 5 2 70 209.297 3 ↓
Hi High (pH 8-9.5) 0.88 1.66 -8.73 3 5 0 67 207.281 3 ↓
Mid Mid (pH 6-8) 0.88 3.94 -46.76 4 5 1 68 208.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)hydrazine (6-methyl-7,8-dihydro-5H-pyrido[…

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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) 0.00 2.64 -97.52 5 5 2 70 181.243 1 ↓
Hi High (pH 8-9.5) 0.00 0.12 -9.22 3 5 0 67 179.227 1 ↓
Mid Mid (pH 6-8) 0.00 2.52 -47.75 4 5 1 68 180.235 1 ↓

Analogs

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Popular Name: (2R)-1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)p (2R)-1-[3-(methylamino)-7,8-dihy…

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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) 0.89 5.26 -42.49 2 7 1 77 329.428 3 ↓
Mid Mid (pH 6-8) 0.89 5.14 -19.02 1 7 0 76 328.42 3 ↓
Mid Mid (pH 6-8) 0.89 5.32 -43.79 2 7 1 77 329.428 3 ↓

Analogs

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Popular Name: (2S)-1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)p (2S)-1-[3-(methylamino)-7,8-dihy…

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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) 0.89 5.38 -42.62 2 7 1 77 329.428 3 ↓
Mid Mid (pH 6-8) 0.89 5.26 -17.75 1 7 0 76 328.42 3 ↓
Mid Mid (pH 6-8) 0.89 5.44 -44.24 2 7 1 77 329.428 3 ↓

Analogs

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Popular Name: 3-furyl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone 3-furyl-[3-(methylamino)-7,8-dih…

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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 3.48 -36.5 2 6 1 73 259.289 2 ↓
Mid Mid (pH 6-8) 0.12 3.36 -15.36 1 6 0 71 258.281 2 ↓
Mid Mid (pH 6-8) 0.12 3.54 -37.93 2 6 1 73 259.289 2 ↓

Analogs

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Popular Name: [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)met [3-(methylamino)-7,8-dihydro-5H-…

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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) 2.99 6.62 -34.88 2 5 1 59 345.473 2 ↓
Mid Mid (pH 6-8) 2.99 6.5 -13.34 1 5 0 58 344.465 2 ↓
Mid Mid (pH 6-8) 2.99 6.68 -35.47 2 5 1 59 345.473 2 ↓

Analogs

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Popular Name: [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(3-methylisoxazol-5-yl)methanone [3-(methylamino)-7,8-dihydro-5H-…

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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) 0.59 3.32 -32.68 2 7 1 85 274.304 2 ↓
Mid Mid (pH 6-8) 0.59 3.38 -32.42 2 7 1 85 274.304 2 ↓
Mid Mid (pH 6-8) 0.59 3.2 -11.45 1 7 0 84 273.296 2 ↓

Analogs

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Popular Name: 1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(4-pyrrol-1-ylphenyl)ethanone 1-[3-(methylamino)-7,8-dihydro-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) 2.00 9.28 -42.75 2 6 1 64 348.43 4 ↓
Mid Mid (pH 6-8) 2.00 9.17 -18.64 1 6 0 63 347.422 4 ↓
Mid Mid (pH 6-8) 2.00 9.35 -44.01 2 6 1 64 348.43 4 ↓

Analogs

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Popular Name: (3-aminopyrazin-2-yl)-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (3-aminopyrazin-2-yl)-[3-(ethyla…

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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) 0.16 1.51 -35.32 4 8 1 111 300.346 3 ↓
Mid Mid (pH 6-8) 0.16 1.39 -13.35 3 8 0 110 299.338 3 ↓
Mid Mid (pH 6-8) 0.16 1.57 -35.17 4 8 1 111 300.346 3 ↓

Analogs

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Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methano [3-(ethylamino)-7,8-dihydro-5H-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) 1.74 5.89 -38.68 2 7 1 85 338.391 3 ↓
Mid Mid (pH 6-8) 1.74 5.77 -15.61 1 7 0 84 337.383 3 ↓
Mid Mid (pH 6-8) 1.74 5.95 -39.05 2 7 1 85 338.391 3 ↓

Analogs

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Popular Name: (2S)-2-(3,5-dimethylisoxazol-4-yl)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]prop (2S)-2-(3,5-dimethylisoxazol-4-y…

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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) 1.30 5.8 -44.22 2 7 1 85 330.412 4 ↓
Mid Mid (pH 6-8) 1.30 5.87 -40.7 2 7 1 85 330.412 4 ↓
Mid Mid (pH 6-8) 1.30 5.69 -17.43 1 7 0 84 329.404 4 ↓

Analogs

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Popular Name: (2R)-2-(3,5-dimethylisoxazol-4-yl)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]prop (2R)-2-(3,5-dimethylisoxazol-4-y…

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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) 1.30 5.67 -46.26 2 7 1 85 330.412 4 ↓
Mid Mid (pH 6-8) 1.30 5.56 -20.19 1 7 0 84 329.404 4 ↓
Mid Mid (pH 6-8) 1.30 5.74 -47.43 2 7 1 85 330.412 4 ↓

Analogs

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Popular Name: 1-[(3R)-3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1-piperidyl]ethanone 1-[(3R)-3-[3-(ethylamino)-7,8-di…

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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) 0.48 5.52 -35.95 2 7 1 80 332.428 3 ↓
Mid Mid (pH 6-8) 0.48 5.36 -14.9 1 7 0 78 331.42 3 ↓
Mid Mid (pH 6-8) 0.48 5.54 -34.68 2 7 1 80 332.428 3 ↓

Analogs

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Popular Name: 1-[(3S)-3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1-piperidyl]ethanone 1-[(3S)-3-[3-(ethylamino)-7,8-di…

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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) 0.48 5.36 -33.16 2 7 1 80 332.428 3 ↓
Mid Mid (pH 6-8) 0.48 5.19 -19.7 1 7 0 78 331.42 3 ↓
Mid Mid (pH 6-8) 0.48 5.37 -47.56 2 7 1 80 332.428 3 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone 2-(benzotriazol-1-yl)-1-[3-(ethy…

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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) 1.36 5.33 -49.66 2 8 1 90 338.395 4 ↓
Mid Mid (pH 6-8) 1.36 5.22 -23.19 1 8 0 89 337.387 4 ↓
Mid Mid (pH 6-8) 1.36 5.4 -50.54 2 8 1 90 338.395 4 ↓

Analogs

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Popular Name: 6-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-2-methyl-4,5-dihydropyridazin-3 6-[3-(ethylamino)-7,8-dihydro-5H…

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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) -0.02 4.01 -37.4 2 8 1 92 317.373 3 ↓
Mid Mid (pH 6-8) -0.02 4.07 -37.22 2 8 1 92 317.373 3 ↓
Mid Mid (pH 6-8) -0.02 3.89 -13.62 1 8 0 91 316.365 3 ↓

Analogs

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Popular Name: [(2S)-2,3-dihydrobenzofuran-2-yl]-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methano [(2S)-2,3-dihydrobenzofuran-2-yl…

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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) 1.97 7.35 -43.6 2 6 1 69 325.392 3 ↓
Mid Mid (pH 6-8) 1.97 7.24 -19.29 1 6 0 67 324.384 3 ↓
Mid Mid (pH 6-8) 1.97 7.42 -44.75 2 6 1 69 325.392 3 ↓

Analogs

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Popular Name: [(2R)-2,3-dihydrobenzofuran-2-yl]-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methano [(2R)-2,3-dihydrobenzofuran-2-yl…

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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) 1.97 7.3 -44.31 2 6 1 69 325.392 3 ↓
Mid Mid (pH 6-8) 1.97 7.18 -18.77 1 6 0 67 324.384 3 ↓
Mid Mid (pH 6-8) 1.97 7.36 -45.82 2 6 1 69 325.392 3 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone 2-(1,2-benzoxazol-3-yl)-1-[3-(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) 2.15 6.64 -48.74 2 7 1 85 338.391 4 ↓
Mid Mid (pH 6-8) 2.15 6.53 -22.11 1 7 0 84 337.383 4 ↓
Mid Mid (pH 6-8) 2.15 6.71 -49.53 2 7 1 85 338.391 4 ↓

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 370625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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