Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_vhbkn2k8vf3g5j3t1mopfifkk4, 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: 6-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-methyl-pyridazin-3-amine 6-chloro-N-[(1S)-1-(3-chlorophen…

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) 4.26 8.48 -7.15 0 3 0 29 282.174 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]-N-methyl-pyridazin-3-amine 6-chloro-N-[(1R)-1-(3-chlorophen…

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) 4.26 8.25 -9.34 0 3 0 29 282.174 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-pyridazin-3-amine 6-chloro-N-[(1S)-1-(2-fluorophen…

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) 3.72 7.95 -6.63 0 3 0 29 265.719 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-pyridazin-3-amine 6-chloro-N-[(1R)-1-(2-fluorophen…

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) 3.72 7.89 -9.54 0 3 0 29 265.719 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chlorophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridazin-3-amine N-[(3-chlorophenyl)methyl]-N-met…

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) 2.31 7.53 -41.86 2 4 1 46 277.779 5 ↓
Hi High (pH 8-9.5) 2.31 6.07 -6.79 1 4 0 41 276.771 5 ↓
Lo Low (pH 4.5-6) 2.31 7.59 -99.34 3 4 2 47 278.787 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methyl-pyridazin-3-amine N-[(3-chlorophenyl)methyl]-6-(et…

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) 2.69 8.39 -41.02 2 4 1 46 291.806 6 ↓
Hi High (pH 8-9.5) 2.69 7.01 -6.64 1 4 0 41 290.798 6 ↓
Lo Low (pH 4.5-6) 2.69 8.45 -99.66 3 4 2 47 292.814 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chlorophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridazin-3-amine N-[(3-chlorophenyl)methyl]-N-met…

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) 3.19 9.14 -41.75 2 4 1 46 305.833 7 ↓
Hi High (pH 8-9.5) 3.19 7.77 -6.49 1 4 0 41 304.825 7 ↓
Lo Low (pH 4.5-6) 3.19 9.21 -101.56 3 4 2 47 306.841 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 1.64 6.24 -32.16 2 5 1 65 244.274 5 ↓
Mid Mid (pH 6-8) 1.64 6.23 -36.48 2 5 1 65 244.274 5 ↓
Mid Mid (pH 6-8) 1.64 6.07 -12.37 1 5 0 64 243.266 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 1.64 6.24 -32.15 2 5 1 65 244.274 5 ↓
Mid Mid (pH 6-8) 1.64 6.07 -12.38 1 5 0 64 243.266 5 ↓
Mid Mid (pH 6-8) 1.64 6.23 -36.5 2 5 1 65 244.274 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-pyridazin-3-amine N-[[3-(aminomethyl)phenyl]methyl…

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) 0.99 5.25 -41.06 3 4 1 57 229.307 4 ↓
Hi High (pH 8-9.5) 0.99 4.84 -8.64 2 4 0 55 228.299 4 ↓
Mid Mid (pH 6-8) 0.99 5.3 -89.24 4 4 2 58 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(aminomethyl)phenyl]methyl]pyridazin-3-amine N-[[3-(aminomethyl)phenyl]methyl…

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) 0.75 3.19 -50.31 4 4 1 65 215.28 4 ↓
Hi High (pH 8-9.5) 0.75 2.79 -8.65 3 4 0 64 214.272 4 ↓
Mid Mid (pH 6-8) 0.75 3.37 -88.93 5 4 2 67 216.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[4-(aminomethyl)phenyl]ethyl]pyridazin-3-amine N-[(1S)-1-[4-(aminomethyl)phenyl…

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) 1.33 3.94 -50.39 4 4 1 65 229.307 4 ↓
Hi High (pH 8-9.5) 1.33 3.54 -9.12 3 4 0 64 228.299 4 ↓
Mid Mid (pH 6-8) 1.33 4.11 -84.68 5 4 2 67 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[4-(aminomethyl)phenyl]ethyl]pyridazin-3-amine N-[(1R)-1-[4-(aminomethyl)phenyl…

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) 1.33 3.94 -51.11 4 4 1 65 229.307 4 ↓
Hi High (pH 8-9.5) 1.33 3.54 -9 3 4 0 64 228.299 4 ↓
Mid Mid (pH 6-8) 1.33 4.11 -84.12 5 4 2 67 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(aminomethyl)phenyl]methyl]pyridazin-3-amine N-[[4-(aminomethyl)phenyl]methyl…

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) 0.77 3.2 -50.29 4 4 1 65 215.28 4 ↓
Hi High (pH 8-9.5) 0.77 2.8 -8.81 3 4 0 64 214.272 4 ↓
Mid Mid (pH 6-8) 0.77 3.38 -83.95 5 4 2 67 216.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-pyridazin-3-amine N-[[2-(aminomethyl)phenyl]methyl…

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) 1.35 6.38 -51.32 3 4 1 57 243.334 5 ↓
Hi High (pH 8-9.5) 1.35 6.06 -8.38 2 4 0 55 242.326 5 ↓
Mid Mid (pH 6-8) 1.35 5.86 -97.3 4 4 2 58 244.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-pyridazin-3-amine N-[[2-(aminomethyl)phenyl]methyl…

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) 0.97 5.51 -51.84 3 4 1 57 229.307 4 ↓
Hi High (pH 8-9.5) 0.97 5.2 -8.83 2 4 0 55 228.299 4 ↓
Mid Mid (pH 6-8) 0.97 5.68 -93.28 4 4 2 58 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-pyridazin-3-amine N-[[4-(aminomethyl)phenyl]methyl…

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) 1.02 5.25 -48.37 3 4 1 57 229.307 4 ↓
Hi High (pH 8-9.5) 1.02 4.84 -8.96 2 4 0 55 228.299 4 ↓
Mid Mid (pH 6-8) 1.02 5.3 -83.56 4 4 2 58 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-pyridazin-3-yl-ethane-1,2-diamine N-benzyl-N-pyridazin-3-yl-ethane…

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) 0.64 5.14 -101.33 4 4 2 58 230.315 5 ↓
Hi High (pH 8-9.5) 0.64 4.71 -8.69 2 4 0 55 228.299 5 ↓
Mid Mid (pH 6-8) 0.64 5.1 -46.62 3 4 1 57 229.307 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]pyridazin-3-amine N-[(4-chlorophenyl)methyl]pyrida…

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) 2.27 5.68 -8.83 1 3 0 38 219.675 3 ↓
Mid Mid (pH 6-8) 2.27 5.86 -33.5 2 3 1 39 220.683 3 ↓
Mid Mid (pH 6-8) 2.27 5.84 -35.71 2 3 1 39 220.683 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]pyridazin-3-amine N-[(1S)-1-(2,4-dichlorophenyl)et…

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) 3.43 6.88 -7.28 1 3 0 38 268.147 3 ↓
Mid Mid (pH 6-8) 3.43 7.05 -34.23 2 3 1 39 269.155 3 ↓
Mid Mid (pH 6-8) 3.43 7.05 -31.95 2 3 1 39 269.155 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridazin-3-amine N-[(1R)-1-(2,4-dichlorophenyl)et…

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) 3.43 6.85 -7.27 1 3 0 38 268.147 3 ↓
Mid Mid (pH 6-8) 3.43 7.03 -32.05 2 3 1 39 269.155 3 ↓
Mid Mid (pH 6-8) 3.43 7.03 -34.28 2 3 1 39 269.155 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-phenylethyl]pyridazin-3-amine N-[(1S)-1-phenylethyl]pyridazin-…

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) 2.15 5.9 -8.4 1 3 0 38 199.257 3 ↓
Mid Mid (pH 6-8) 2.15 6.07 -30.31 2 3 1 39 200.265 3 ↓
Mid Mid (pH 6-8) 2.15 6.07 -33.52 2 3 1 39 200.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-phenylethyl]pyridazin-3-amine N-[(1R)-1-phenylethyl]pyridazin-…

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) 2.15 5.9 -8.41 1 3 0 38 199.257 3 ↓
Mid Mid (pH 6-8) 2.15 6.08 -30.3 2 3 1 39 200.265 3 ↓
Mid Mid (pH 6-8) 2.15 6.07 -33.52 2 3 1 39 200.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxyphenyl)methyl]pyridazin-3-amine N-[(2-methoxyphenyl)methyl]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 4.5 -9.32 1 4 0 47 215.256 4 ↓
Mid Mid (pH 6-8) 1.60 4.68 -28.8 2 4 1 48 216.264 4 ↓
Mid Mid (pH 6-8) 1.60 4.67 -32.55 2 4 1 48 216.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzylpyridazin-3-amine N-benzylpyridazin-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) 1.59 5.16 -8.21 1 3 0 38 185.23 3 ↓
Mid Mid (pH 6-8) 1.59 5.34 -30.29 2 3 1 39 186.238 3 ↓
Mid Mid (pH 6-8) 1.59 5.33 -33.17 2 3 1 39 186.238 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine N-[[3-(trifluoromethyl)phenyl]me…

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 6.16 -9.88 1 3 0 38 253.227 4 ↓
Mid Mid (pH 6-8) 2.46 6.33 -34.45 2 3 1 39 254.235 4 ↓
Mid Mid (pH 6-8) 2.46 6.33 -36.45 2 3 1 39 254.235 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]pyridazin-3-amine N-[(2-chlorophenyl)methyl]pyrida…

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) 2.22 5.58 -8.73 1 3 0 38 219.675 3 ↓
Mid Mid (pH 6-8) 2.22 5.75 -29.35 2 3 1 39 220.683 3 ↓
Mid Mid (pH 6-8) 2.22 5.75 -32.75 2 3 1 39 220.683 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]pyridazin-3-amine N-[(4-methoxyphenyl)methyl]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) 1.65 4.46 -9.85 1 4 0 47 215.256 4 ↓
Mid Mid (pH 6-8) 1.65 4.64 -32.96 2 4 1 48 216.264 4 ↓
Mid Mid (pH 6-8) 1.65 4.63 -35.61 2 4 1 48 216.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide 4-[(pyridazin-3-ylamino)methyl]b…

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 0.12 -16.05 3 6 0 98 264.31 4 ↓
Mid Mid (pH 6-8) 0.28 0.29 -44.72 4 6 1 99 265.318 4 ↓
Mid Mid (pH 6-8) 0.28 0.31 -43.18 4 6 1 99 265.318 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]pyridazin-3-amine N-[(4-fluorophenyl)methyl]pyrida…

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) 1.75 5.23 -9.47 1 3 0 38 203.22 3 ↓
Mid Mid (pH 6-8) 1.75 5.39 -36.6 2 3 1 39 204.228 3 ↓
Mid Mid (pH 6-8) 1.75 5.41 -34.45 2 3 1 39 204.228 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]pyridazin-3-amine N-[(2-fluorophenyl)methyl]pyrida…

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) 1.70 5.19 -9.71 1 3 0 38 203.22 3 ↓
Mid Mid (pH 6-8) 1.70 5.37 -29.9 2 3 1 39 204.228 3 ↓
Mid Mid (pH 6-8) 1.70 5.36 -33.4 2 3 1 39 204.228 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(p-tolylmethyl)pyridazin-3-amine N-(p-tolylmethyl)pyridazin-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) 2.04 5.84 -8.24 1 3 0 38 199.257 3 ↓
Mid Mid (pH 6-8) 2.04 6.01 -33.21 2 3 1 39 200.265 3 ↓
Mid Mid (pH 6-8) 2.04 6.01 -30.22 2 3 1 39 200.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromophenyl)methyl]pyridazin-3-amine N-[(4-bromophenyl)methyl]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) 2.40 5.79 -8.79 1 3 0 38 264.126 3 ↓
Mid Mid (pH 6-8) 2.40 5.95 -35.76 2 3 1 39 265.134 3 ↓
Mid Mid (pH 6-8) 2.40 5.96 -33.62 2 3 1 39 265.134 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]pyridazin-3-amine N-[(3-fluorophenyl)methyl]pyrida…

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) 1.73 5.23 -9.57 1 3 0 38 203.22 3 ↓
Mid Mid (pH 6-8) 1.73 5.4 -35.83 2 3 1 39 204.228 3 ↓
Mid Mid (pH 6-8) 1.73 5.41 -33.46 2 3 1 39 204.228 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine N-[(3,4-dimethoxyphenyl)methyl]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) 1.24 4.36 -12.3 1 5 0 56 245.282 5 ↓
Mid Mid (pH 6-8) 1.24 4.54 -36.68 2 5 1 58 246.29 5 ↓
Mid Mid (pH 6-8) 1.24 4.53 -39.13 2 5 1 58 246.29 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-nitrophenyl)methyl]pyridazin-3-amine N-[(4-nitrophenyl)methyl]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) 1.55 5.88 -13.73 1 6 0 84 230.227 4 ↓
Mid Mid (pH 6-8) 1.55 6.04 -44.09 2 6 1 85 231.235 4 ↓
Mid Mid (pH 6-8) 1.55 6.05 -43.17 2 6 1 85 231.235 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-ethoxyphenyl)methyl]pyridazin-3-amine N-[(3-ethoxyphenyl)methyl]pyrida…

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) 2.00 5.39 -9.74 1 4 0 47 229.283 5 ↓
Mid Mid (pH 6-8) 2.00 5.56 -34.56 2 4 1 48 230.291 5 ↓
Mid Mid (pH 6-8) 2.00 5.56 -31.64 2 4 1 48 230.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]pyridazin-3-amine N-[(3-methoxyphenyl)methyl]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) 1.62 4.46 -9.87 1 4 0 47 215.256 4 ↓
Mid Mid (pH 6-8) 1.62 4.64 -31.78 2 4 1 48 216.264 4 ↓
Mid Mid (pH 6-8) 1.62 4.63 -34.74 2 4 1 48 216.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(o-tolylmethyl)pyridazin-3-amine N-(o-tolylmethyl)pyridazin-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) 1.99 5.88 -8 1 3 0 38 199.257 3 ↓
Mid Mid (pH 6-8) 1.99 6.06 -30.53 2 3 1 39 200.265 3 ↓
Mid Mid (pH 6-8) 1.99 6.06 -33.4 2 3 1 39 200.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(m-tolylmethyl)pyridazin-3-amine N-(m-tolylmethyl)pyridazin-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) 2.01 5.83 -8.23 1 3 0 38 199.257 3 ↓
Mid Mid (pH 6-8) 2.01 6 -33.28 2 3 1 39 200.265 3 ↓
Mid Mid (pH 6-8) 2.01 6 -30.33 2 3 1 39 200.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(pyridazin-3-ylamino)methyl]benzonitrile 4-[(pyridazin-3-ylamino)methyl]b…

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) 1.34 5.56 -12.19 1 4 0 62 210.24 3 ↓
Mid Mid (pH 6-8) 1.34 5.73 -39.31 2 4 1 63 211.248 3 ↓
Mid Mid (pH 6-8) 1.34 5.72 -40.58 2 4 1 63 211.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(pyridazin-3-ylamino)methyl]benzonitrile 3-[(pyridazin-3-ylamino)methyl]b…

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) 1.32 5.55 -12.4 1 4 0 62 210.24 3 ↓
Mid Mid (pH 6-8) 1.32 5.72 -38.06 2 4 1 63 211.248 3 ↓
Mid Mid (pH 6-8) 1.32 5.72 -39.62 2 4 1 63 211.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-(pyridazin-3-ylamino)ethyl]benzonitrile 4-[(1S)-1-(pyridazin-3-ylamino)e…

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) 1.90 6.28 -12.23 1 4 0 62 224.267 3 ↓
Mid Mid (pH 6-8) 1.90 6.46 -38.93 2 4 1 63 225.275 3 ↓
Mid Mid (pH 6-8) 1.90 6.46 -40.67 2 4 1 63 225.275 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-(pyridazin-3-ylamino)ethyl]benzonitrile 4-[(1R)-1-(pyridazin-3-ylamino)e…

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) 1.90 6.28 -12.2 1 4 0 62 224.267 3 ↓
Mid Mid (pH 6-8) 1.90 6.45 -40.65 2 4 1 63 225.275 3 ↓
Mid Mid (pH 6-8) 1.90 6.46 -38.96 2 4 1 63 225.275 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(ethoxymethyl)phenyl]methyl]pyridazin-3-amine N-[[2-(ethoxymethyl)phenyl]methy…

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) 1.87 5.97 -9.11 1 4 0 47 243.31 6 ↓
Mid Mid (pH 6-8) 1.87 6.14 -33.28 2 4 1 48 244.318 6 ↓
Mid Mid (pH 6-8) 1.87 6.14 -35.94 2 4 1 48 244.318 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine N-[[2-(methoxymethyl)phenyl]meth…

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) 1.50 4.99 -9.25 1 4 0 47 229.283 5 ↓
Mid Mid (pH 6-8) 1.50 5.17 -33.32 2 4 1 48 230.291 5 ↓
Mid Mid (pH 6-8) 1.50 5.16 -35.9 2 4 1 48 230.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(1S)-1-(pyridazin-3-ylamino)ethyl]phenyl]acetamide N-[3-[(1S)-1-(pyridazin-3-ylamin…

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) 1.34 4.77 -15.8 2 5 0 67 256.309 4 ↓
Mid Mid (pH 6-8) 1.34 4.95 -39.19 3 5 1 68 257.317 4 ↓
Mid Mid (pH 6-8) 1.34 4.95 -42.23 3 5 1 68 257.317 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(1R)-1-(pyridazin-3-ylamino)ethyl]phenyl]acetamide N-[3-[(1R)-1-(pyridazin-3-ylamin…

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) 1.34 4.77 -15.27 2 5 0 67 256.309 4 ↓
Mid Mid (pH 6-8) 1.34 4.95 -39.75 3 5 1 68 257.317 4 ↓
Mid Mid (pH 6-8) 1.34 4.95 -42.59 3 5 1 68 257.317 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(methoxymethyl)phenyl]methyl]pyridazin-3-amine N-[[3-(methoxymethyl)phenyl]meth…

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) 1.52 4.89 -9.95 1 4 0 47 229.283 5 ↓
Mid Mid (pH 6-8) 1.52 5.06 -34.83 2 4 1 48 230.291 5 ↓
Mid Mid (pH 6-8) 1.52 5.06 -31.84 2 4 1 48 230.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-bromophenyl)ethyl]pyridazin-3-amine N-[(1S)-1-(3-bromophenyl)ethyl]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) 2.93 6.52 -8.23 1 3 0 38 278.153 3 ↓
Mid Mid (pH 6-8) 2.93 6.69 -34.84 2 3 1 39 279.161 3 ↓
Mid Mid (pH 6-8) 2.93 6.69 -32.42 2 3 1 39 279.161 3 ↓

Parameters Provided:

ring.id = 11337
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 = 11337 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11337&filter.purchasability=annotated

Embed Link to Results