Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_hjeq207u1h2339sr5v84vvhjm6, 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: 2-[1-(2-furylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diisopropyl-acetamide 2-[1-(2-furylmethyl)-5-(hydroxym…

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 6.36 -14.28 1 6 0 72 351.472 8 ↓
Mid Mid (pH 6-8) 2.04 6.72 -34.01 2 6 1 73 352.48 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(imidazol-1-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[2-(imidazol-1-ylmethyl)-3-fur…

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 6.18 -95.61 3 4 2 49 193.25 4 ↓
Mid Mid (pH 6-8) 0.33 5.67 -50.66 2 4 1 48 192.242 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(imidazol-1-ylmethyl)-3-furyl]methyl]ethanamine N-[[2-(imidazol-1-ylmethyl)-3-fu…

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) 0.71 7.05 -95.65 3 4 2 49 207.277 5 ↓
Mid Mid (pH 6-8) 0.71 6.54 -49.65 2 4 1 48 206.269 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(imidazol-1-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[2-(imidazol-1-ylmethyl)-3-fu…

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 7.8 -97.28 3 4 2 49 221.304 6 ↓
Mid Mid (pH 6-8) 1.21 7.29 -50.56 2 4 1 48 220.296 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(imidazol-1-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[2-(imidazol-1-ylmethyl)-3-fu…

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) 1.01 7.58 -93.62 3 4 2 49 221.304 5 ↓
Mid Mid (pH 6-8) 1.01 7.06 -48.06 2 4 1 48 220.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(imidazol-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-2-amine N-[[2-(imidazol-1-ylmethyl)-3-fu…

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 8 -92.69 3 4 2 49 235.331 5 ↓
Mid Mid (pH 6-8) 1.52 7.49 -45.69 2 4 1 48 234.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(imidazol-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-1-amine N-[[2-(imidazol-1-ylmethyl)-3-fu…

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) 1.46 8.49 -97.65 3 4 2 49 235.331 6 ↓
Mid Mid (pH 6-8) 1.46 7.97 -50.32 2 4 1 48 234.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(imidazol-1-ylmethyl)-2-methyl-3-furyl]-N-methyl-methanamine 1-[5-(imidazol-1-ylmethyl)-2-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) 0.56 7.15 -84.64 3 4 2 49 207.277 4 ↓
Mid Mid (pH 6-8) 0.56 6.64 -44.97 2 4 1 48 206.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-2-methyl-3-furyl]methyl]ethanamine N-[[5-(imidazol-1-ylmethyl)-2-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) 0.93 8.01 -84.24 3 4 2 49 221.304 5 ↓
Mid Mid (pH 6-8) 0.93 7.49 -44.32 2 4 1 48 220.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-2-methyl-3-furyl]methyl]propan-1-amine N-[[5-(imidazol-1-ylmethyl)-2-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) 1.43 8.76 -85.6 3 4 2 49 235.331 6 ↓
Mid Mid (pH 6-8) 1.43 8.24 -45.1 2 4 1 48 234.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-2-methyl-3-furyl]methyl]propan-2-amine N-[[5-(imidazol-1-ylmethyl)-2-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) 1.23 8.53 -83.31 3 4 2 49 235.331 5 ↓
Mid Mid (pH 6-8) 1.23 8.02 -42.79 2 4 1 48 234.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-2-methyl-3-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(imidazol-1-ylmethyl)-2-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) 1.74 8.94 -82.09 3 4 2 49 249.358 5 ↓
Mid Mid (pH 6-8) 1.74 8.43 -41.03 2 4 1 48 248.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-2-methyl-3-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(imidazol-1-ylmethyl)-2-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) 1.68 9.46 -85.85 3 4 2 49 249.358 6 ↓
Mid Mid (pH 6-8) 1.68 8.95 -45.07 2 4 1 48 248.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(imidazol-1-ylmethyl)-2-furyl]-N-methyl-methanamine 1-[5-(imidazol-1-ylmethyl)-2-fur…

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 6.49 -85.22 3 4 2 49 193.25 4 ↓
Mid Mid (pH 6-8) 0.64 5.98 -45.48 2 4 1 48 192.242 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-2-furyl]methyl]ethanamine N-[[5-(imidazol-1-ylmethyl)-2-fu…

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 7.35 -84.94 3 4 2 49 207.277 5 ↓
Mid Mid (pH 6-8) 1.02 6.84 -44.63 2 4 1 48 206.269 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[5-(imidazol-1-ylmethyl)-2-fu…

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 8.1 -86.26 3 4 2 49 221.304 6 ↓
Mid Mid (pH 6-8) 1.52 7.59 -45.48 2 4 1 48 220.296 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[5-(imidazol-1-ylmethyl)-2-fu…

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 7.87 -83.84 3 4 2 49 221.304 5 ↓
Mid Mid (pH 6-8) 1.32 7.36 -43.18 2 4 1 48 220.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-2-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(imidazol-1-ylmethyl)-2-fu…

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) 1.83 8.3 -82.37 3 4 2 49 235.331 5 ↓
Mid Mid (pH 6-8) 1.83 7.79 -41.25 2 4 1 48 234.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-2-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(imidazol-1-ylmethyl)-2-fu…

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) 1.77 8.8 -86.78 3 4 2 49 235.331 6 ↓
Mid Mid (pH 6-8) 1.77 8.28 -45.4 2 4 1 48 234.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(imidazol-1-ylmethyl)-2-methyl-3-furyl]methanamine [5-(imidazol-1-ylmethyl)-2-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) 0.18 5.28 -89.47 4 4 2 60 193.25 3 ↓
Hi High (pH 8-9.5) 0.18 4.37 -9.39 2 4 0 57 191.234 3 ↓
Mid Mid (pH 6-8) 0.18 4.77 -50.2 3 4 1 59 192.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(imidazol-1-ylmethyl)-3-furyl]methanamine [2-(imidazol-1-ylmethyl)-3-furyl…

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) -0.04 4.31 -101.16 4 4 2 60 179.223 3 ↓
Hi High (pH 8-9.5) -0.04 3.37 -7.67 2 4 0 57 177.207 3 ↓
Mid Mid (pH 6-8) -0.04 3.79 -56.65 3 4 1 59 178.215 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(imidazol-1-ylmethyl)-3-methyl-2-furyl]methanamine [5-(imidazol-1-ylmethyl)-3-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) 0.65 5.24 -90.64 4 4 2 60 193.25 3 ↓
Mid Mid (pH 6-8) 0.65 4.73 -51.2 3 4 1 59 192.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(imidazol-1-ylmethyl)-3-furyl]methanamine [5-(imidazol-1-ylmethyl)-3-furyl…

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) -0.04 4.45 -91.22 4 4 2 60 179.223 3 ↓
Hi High (pH 8-9.5) -0.04 3.54 -8.71 2 4 0 57 177.207 3 ↓
Mid Mid (pH 6-8) -0.04 3.94 -51.15 3 4 1 59 178.215 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(imidazol-1-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[5-(imidazol-1-ylmethyl)-3-fur…

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 6.33 -84.9 3 4 2 49 193.25 4 ↓
Mid Mid (pH 6-8) 0.33 5.81 -44.66 2 4 1 48 192.242 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-3-furyl]methyl]ethanamine N-[[5-(imidazol-1-ylmethyl)-3-fu…

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) 0.71 7.19 -84.55 3 4 2 49 207.277 5 ↓
Mid Mid (pH 6-8) 0.71 6.67 -44.01 2 4 1 48 206.269 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[5-(imidazol-1-ylmethyl)-3-fu…

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 7.94 -85.93 3 4 2 49 221.304 6 ↓
Mid Mid (pH 6-8) 1.21 7.43 -44.94 2 4 1 48 220.296 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[5-(imidazol-1-ylmethyl)-3-fu…

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) 1.01 7.72 -83.84 3 4 2 49 221.304 5 ↓
Mid Mid (pH 6-8) 1.01 7.21 -42.71 2 4 1 48 220.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(imidazol-1-ylmethyl)-3-fu…

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 8.15 -82.8 3 4 2 49 235.331 5 ↓
Mid Mid (pH 6-8) 1.52 7.63 -41.11 2 4 1 48 234.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(imidazol-1-ylmethyl)-3-fu…

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) 1.46 8.63 -86.45 3 4 2 49 235.331 6 ↓
Mid Mid (pH 6-8) 1.46 8.12 -45.01 2 4 1 48 234.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(imidazol-1-ylmethyl)-3-methyl-2-furyl]-N-methyl-methanamine 1-[5-(imidazol-1-ylmethyl)-3-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) 1.02 7.11 -85.33 3 4 2 49 207.277 4 ↓
Mid Mid (pH 6-8) 1.02 6.6 -45.54 2 4 1 48 206.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-3-methyl-2-furyl]methyl]ethanamine N-[[5-(imidazol-1-ylmethyl)-3-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) 1.40 7.97 -84.98 3 4 2 49 221.304 5 ↓
Mid Mid (pH 6-8) 1.40 7.46 -44.53 2 4 1 48 220.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-3-methyl-2-furyl]methyl]propan-1-amine N-[[5-(imidazol-1-ylmethyl)-3-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) 1.90 8.72 -86.27 3 4 2 49 235.331 6 ↓
Mid Mid (pH 6-8) 1.90 8.21 -45.39 2 4 1 48 234.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-3-methyl-2-furyl]methyl]propan-2-amine N-[[5-(imidazol-1-ylmethyl)-3-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) 1.69 8.51 -83.71 3 4 2 49 235.331 5 ↓
Mid Mid (pH 6-8) 1.69 7.98 -43.01 2 4 1 48 234.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-3-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(imidazol-1-ylmethyl)-3-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) 2.21 8.93 -82.15 3 4 2 49 249.358 5 ↓
Mid Mid (pH 6-8) 2.21 8.42 -41.01 2 4 1 48 248.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(imidazol-1-ylmethyl)-3-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(imidazol-1-ylmethyl)-3-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) 2.14 9.42 -86.63 3 4 2 49 249.358 6 ↓
Mid Mid (pH 6-8) 2.14 8.91 -45.38 2 4 1 48 248.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-3-furyl]methanamine N-methyl-1-[2-[(2-methylimidazol…

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 5.98 -93.11 3 4 2 49 207.277 4 ↓
Mid Mid (pH 6-8) 0.42 5.51 -50.68 2 4 1 48 206.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(2-methylimidazol-1-yl)methyl]-3-furyl]methyl]ethanamine N-[[2-[(2-methylimidazol-1-yl)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) 0.80 6.85 -93.11 3 4 2 49 221.304 5 ↓
Mid Mid (pH 6-8) 0.80 6.37 -49.65 2 4 1 48 220.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(2-methylimidazol-1-yl)methyl]-3-furyl]methyl]propan-1-amine N-[[2-[(2-methylimidazol-1-yl)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) 1.30 7.59 -94.79 3 4 2 49 235.331 6 ↓
Mid Mid (pH 6-8) 1.30 7.12 -50.53 2 4 1 48 234.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(2-methylimidazol-1-yl)methyl]-3-furyl]methyl]propan-2-amine N-[[2-[(2-methylimidazol-1-yl)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) 1.09 7.38 -90.97 3 4 2 49 235.331 5 ↓
Mid Mid (pH 6-8) 1.09 6.89 -48.1 2 4 1 48 234.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-[(2-methylimidazol-1-yl)methyl]-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-[(2-methylimidazo…

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) 1.61 7.8 -90.03 3 4 2 49 249.358 5 ↓
Mid Mid (pH 6-8) 1.61 7.33 -45.71 2 4 1 48 248.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-[(2-methylimidazol-1-yl)methyl]-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-[(2-methylimidazo…

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 8.3 -95.81 3 4 2 49 249.358 6 ↓
Mid Mid (pH 6-8) 1.54 7.82 -50.64 2 4 1 48 248.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-methyl-5-[(2-methylimidazol-1-yl)methyl]-3-furyl]methanamine N-methyl-1-[2-methyl-5-[(2-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) 0.64 6.91 -81.95 3 4 2 49 221.304 4 ↓
Mid Mid (pH 6-8) 0.64 6.44 -44.94 2 4 1 48 220.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-[(2-methylimidazol-1-yl)methyl]-3-furyl]methyl]ethanamine N-[[2-methyl-5-[(2-methylimidazo…

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 7.78 -81.61 3 4 2 49 235.331 5 ↓
Mid Mid (pH 6-8) 1.02 7.3 -44.23 2 4 1 48 234.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-[(2-methylimidazol-1-yl)methyl]-3-furyl]methyl]propan-1-amine N-[[2-methyl-5-[(2-methylimidazo…

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 8.52 -82.94 3 4 2 49 249.358 6 ↓
Mid Mid (pH 6-8) 1.52 8.04 -45.05 2 4 1 48 248.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-[(2-methylimidazol-1-yl)methyl]-3-furyl]methyl]propan-2-amine N-[[2-methyl-5-[(2-methylimidazo…

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) 1.31 8.29 -80.65 3 4 2 49 249.358 5 ↓
Mid Mid (pH 6-8) 1.31 7.82 -42.59 2 4 1 48 248.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-methyl-5-[(2-methylimidazol-1-yl)methyl]-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-methyl-5-[(2-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) 1.83 8.7 -79.47 3 4 2 49 263.385 5 ↓
Mid Mid (pH 6-8) 1.83 8.23 -41.04 2 4 1 48 262.377 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-methyl-5-[(2-methylimidazol-1-yl)methyl]-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-methyl-5-[(2-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) 1.76 9.22 -83.24 3 4 2 49 263.385 6 ↓
Mid Mid (pH 6-8) 1.76 8.74 -45.08 2 4 1 48 262.377 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[5-[(2-methylimidazol-1-yl)methyl]-2-furyl]methanamine N-methyl-1-[5-[(2-methylimidazol…

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) 0.73 6.26 -82.4 3 4 2 49 207.277 4 ↓
Mid Mid (pH 6-8) 0.73 5.79 -46.31 2 4 1 48 206.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(2-methylimidazol-1-yl)methyl]-2-furyl]methyl]ethanamine N-[[5-[(2-methylimidazol-1-yl)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) 1.11 7.12 -82.18 3 4 2 49 221.304 5 ↓
Mid Mid (pH 6-8) 1.11 6.65 -45.48 2 4 1 48 220.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(2-methylimidazol-1-yl)methyl]-2-furyl]methyl]propan-1-amine N-[[5-[(2-methylimidazol-1-yl)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) 1.61 7.87 -83.55 3 4 2 49 235.331 6 ↓
Mid Mid (pH 6-8) 1.61 7.4 -46.4 2 4 1 48 234.323 6 ↓

Parameters Provided:

ring.id = 18056
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 = 18056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=18056&filter.purchasability=annotated

Embed Link to Results