Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ghtit5bo1aibgjn843iu7d1253, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromopyrazol-1-yl)pyridazine 3-(4-bromopyrazol-1-yl)pyridazine

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 4.52 -8.03 0 4 0 44 225.049 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)pyridazine 3-(4-bromo-3,5-dimethyl-pyrazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.74 -8.62 0 4 0 44 253.103 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-pyridazin-3-ylpyrazol-4-amine 1-pyridazin-3-ylpyrazol-4-amine

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.11 1.78 -9.97 2 5 0 70 161.168 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-1-pyridazin-3-yl-pyrazol-4-amine 3,5-dimethyl-1-pyridazin-3-yl-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.33 3.09 -10.59 2 5 0 70 189.222 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-pyridazin-3-ylpyrazol-3-amine 1-pyridazin-3-ylpyrazol-3-amine

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.09 2.79 -9.78 2 5 0 70 161.168 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-pyridazin-3-yl-pyrazol-3-amine 4-bromo-1-pyridazin-3-yl-pyrazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.82 3.41 -8.43 2 5 0 70 240.064 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-dimethyl-1-pyridazin-3-yl-pyrazol-4-yl)acetic 2-(3,5-dimethyl-1-pyridazin-3-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.28 6.38 -51.96 0 6 -1 84 231.235 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-1-pyridazin-3-yl-pyrazole-4-carboxylic 3,5-dimethyl-1-pyridazin-3-yl-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.42 5.63 -51.92 0 6 -1 84 217.208 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-pyridazin-3-ylpyrazole-4-carboxylic 1-pyridazin-3-ylpyrazole-4-carbo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 4.53 -51.58 0 6 -1 84 189.154 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazin-4-yl]methanamine [5,6-dimethyl-3-(3-methylpyrazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.82 3.52 -8.77 2 5 0 70 217.276 2 ↓
Mid Mid (pH 6-8) 0.82 3.93 -45.76 3 5 1 71 218.284 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-methylpyrazol-1-yl)pyridazine-3-carboxylic 6-(3-methylpyrazol-1-yl)pyridazi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.03 -46.76 0 6 -1 84 203.181 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3-isopropylpyrazol-1-yl)-5,6-dimethyl-pyridazin-4-yl]methanamine [3-(3-isopropylpyrazol-1-yl)-5,6…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.88 4.78 -8.17 2 5 0 70 245.33 3 ↓
Mid Mid (pH 6-8) 1.88 5.23 -45.37 3 5 1 71 246.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-isopropylpyrazol-1-yl)pyridazine-3-carboxylic 6-(3-isopropylpyrazol-1-yl)pyrid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.60 6.3 -46.17 0 6 -1 84 231.235 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile 5,6-dimethyl-3-(3-methylpyrazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.88 -11.36 0 5 0 67 213.244 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-isopropylpyrazol-1-yl)-5,6-dimethyl-pyridazine-4-carbonitrile 3-(3-isopropylpyrazol-1-yl)-5,6-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.15 -11.18 0 5 0 67 241.298 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbothioamide 5,6-dimethyl-3-(3-methylpyrazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 4.76 -15.76 2 5 0 70 247.327 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-isopropylpyrazol-1-yl)-5,6-dimethyl-pyridazine-4-carbothioamide 3-(3-isopropylpyrazol-1-yl)-5,6-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.50 6.03 -15.19 2 5 0 70 275.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carboxamidine 5,6-dimethyl-3-(3-methylpyrazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.03 2.67 -34.34 4 6 1 95 231.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-isopropylpyrazol-1-yl)-5,6-dimethyl-pyridazine-4-carboxamidine 3-(3-isopropylpyrazol-1-yl)-5,6-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.08 4.66 -33.56 4 6 1 95 259.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-(3-isopropylpyrazol-1-yl)pyridazine 3-chloro-6-(3-isopropylpyrazol-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.97 6.19 -6.56 0 4 0 44 222.679 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(3-methylpyrazol-1-yl)pyridazin-3-yl]methanol [6-(3-methylpyrazol-1-yl)pyridaz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.30 1.92 -9.04 1 5 0 64 190.206 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(3-isopropylpyrazol-1-yl)pyridazin-3-yl]methanol [6-(3-isopropylpyrazol-1-yl)pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 3.19 -8.48 1 5 0 64 218.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-6-(3-methylpyrazol-1-yl)pyridazine 3-(chloromethyl)-6-(3-methylpyra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.69 -9.5 0 4 0 44 208.652 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-6-(3-isopropylpyrazol-1-yl)pyridazine 3-(chloromethyl)-6-(3-isopropylp…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.60 6.96 -8.91 0 4 0 44 236.706 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(3-methylpyrazol-1-yl)pyridazin-3-yl]methanamine [6-(3-methylpyrazol-1-yl)pyridaz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.15 2.46 -52.67 3 5 1 71 190.23 2 ↓
Mid Mid (pH 6-8) 0.15 2.06 -8.52 2 5 0 70 189.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]methanamine N-methyl-1-[6-(3-methylpyrazol-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.53 4.33 -46.92 2 5 1 60 204.257 3 ↓
Mid Mid (pH 6-8) 0.53 2.88 -9.47 1 5 0 56 203.249 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine N-[[6-(3-methylpyrazol-1-yl)pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.90 5.19 -46.09 2 5 1 60 218.284 4 ↓
Mid Mid (pH 6-8) 0.90 3.81 -7.9 1 5 0 56 217.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine N-[[6-(3-methylpyrazol-1-yl)pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.94 -46.92 2 5 1 60 232.311 5 ↓
Mid Mid (pH 6-8) 1.40 4.58 -7.77 1 5 0 56 231.303 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine N-[[6-(3-methylpyrazol-1-yl)pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.20 5.7 -44.68 2 5 1 60 232.311 4 ↓
Mid Mid (pH 6-8) 1.20 4.49 -9.29 1 5 0 56 231.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine 2-methyl-N-[[6-(3-methylpyrazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.12 -42.19 2 5 1 60 246.338 4 ↓
Hi High (pH 8-9.5) 1.71 4.91 -8.93 1 5 0 56 245.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine 2-methyl-N-[[6-(3-methylpyrazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.65 6.64 -46.83 2 5 1 60 246.338 5 ↓
Mid Mid (pH 6-8) 1.65 5.26 -9.06 1 5 0 56 245.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(3-isopropylpyrazol-1-yl)pyridazin-3-yl]methanamine [6-(3-isopropylpyrazol-1-yl)pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 3.73 -52.17 3 5 1 71 218.284 3 ↓
Mid Mid (pH 6-8) 1.21 3.32 -7.94 2 5 0 70 217.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-(3-isopropylpyrazol-1-yl)pyridazin-3-yl]-N-methyl-methanamine 1-[6-(3-isopropylpyrazol-1-yl)py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.58 5.6 -46.42 2 5 1 60 232.311 4 ↓
Mid Mid (pH 6-8) 1.58 4.15 -8.89 1 5 0 56 231.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(3-isopropylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine N-[[6-(3-isopropylpyrazol-1-yl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.96 6.46 -45.58 2 5 1 60 246.338 5 ↓
Mid Mid (pH 6-8) 1.96 5.08 -7.34 1 5 0 56 245.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(3-isopropylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine N-[[6-(3-isopropylpyrazol-1-yl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.46 7.21 -46.46 2 5 1 60 260.365 6 ↓
Mid Mid (pH 6-8) 2.46 5.84 -7.26 1 5 0 56 259.357 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(3-isopropylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine N-[[6-(3-isopropylpyrazol-1-yl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.26 6.98 -44.18 2 5 1 60 260.365 5 ↓
Mid Mid (pH 6-8) 2.26 5.76 -8.61 1 5 0 56 259.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(3-isopropylpyrazol-1-yl)pyridazin-3-yl]methyl]-2-methyl-propan-2-amine N-[[6-(3-isopropylpyrazol-1-yl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.41 -41.65 2 5 1 60 274.392 5 ↓
Hi High (pH 8-9.5) 2.77 6.18 -8.32 1 5 0 56 273.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(3-isopropylpyrazol-1-yl)pyridazin-3-yl]methyl]-2-methyl-propan-1-amine N-[[6-(3-isopropylpyrazol-1-yl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.70 7.9 -46.31 2 5 1 60 274.392 6 ↓
Mid Mid (pH 6-8) 2.70 6.67 -7.04 1 5 0 56 273.384 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]propan-1-ol 3-[1-(6-chloropyridazin-3-yl)pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.69 3.21 -9.35 1 5 0 64 238.678 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propan-1-ol 3-[1-(6-methylpyridazin-3-yl)pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.72 3.4 -11.45 1 5 0 64 218.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-[4-(3-chloropropyl)pyrazol-1-yl]pyridazine 3-chloro-6-[4-(3-chloropropyl)py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.17 -8.44 0 4 0 44 257.124 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(3-bromopropyl)pyrazol-1-yl]-6-chloro-pyridazine 3-[4-(3-bromopropyl)pyrazol-1-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.06 7.29 -8.32 0 4 0 44 301.575 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(3-chloropropyl)pyrazol-1-yl]-6-methyl-pyridazine 3-[4-(3-chloropropyl)pyrazol-1-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.96 7.35 -10.36 0 4 0 44 236.706 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(3-bromopropyl)pyrazol-1-yl]-6-methyl-pyridazine 3-[4-(3-bromopropyl)pyrazol-1-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.09 7.47 -10.2 0 4 0 44 281.157 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]propan-1-amine 3-[1-(6-chloropyridazin-3-yl)pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 3.92 -48.73 3 5 1 71 238.702 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]-N-methyl-propan-1-amine 3-[1-(6-chloropyridazin-3-yl)pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.10 5.8 -44.17 2 5 1 60 252.729 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]-N-ethyl-propan-1-amine 3-[1-(6-chloropyridazin-3-yl)pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.13 6.65 -43.63 2 5 1 60 266.756 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]-N-propyl-propan-1-amine 3-[1-(6-chloropyridazin-3-yl)pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.63 7.4 -44.62 2 5 1 60 280.783 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]-N-isopropyl-propan-1-amine 3-[1-(6-chloropyridazin-3-yl)pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.18 -42.55 2 5 1 60 280.783 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]propyl]-2-methyl-propan-2-amine N-[3-[1-(6-chloropyridazin-3-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.61 -41.46 2 5 1 60 294.81 6 ↓

Parameters Provided:

ring.id = 26017
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 26017 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=26017&filter.purchasability=annotated

Embed Link to Results