Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_2mv7nnegjsc9i06t4hok77gj67, 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: (S)-benzofuran-2-yl-(1-methylimidazol-2-yl)methanol (S)-benzofuran-2-yl-(1-methylimi…

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 4.68 -12.33 1 4 0 51 228.251 2 ↓
Mid Mid (pH 6-8) 1.58 5.32 -33.51 2 4 1 52 229.259 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-benzofuran-2-yl-(1-methylimidazol-2-yl)methanol (R)-benzofuran-2-yl-(1-methylimi…

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 4.54 -12.35 1 4 0 51 228.251 2 ↓
Mid Mid (pH 6-8) 1.58 5.17 -33.2 2 4 1 52 229.259 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-benzofuran-2-yl-(1-methylimidazol-2-yl)methanamine (S)-benzofuran-2-yl-(1-methylimi…

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) 1.63 5.25 -32.51 3 4 1 58 228.275 2 ↓
Hi High (pH 8-9.5) 1.63 4.62 -11.89 2 4 0 57 227.267 2 ↓
Mid Mid (pH 6-8) 1.63 4.96 -45.33 3 4 1 59 228.275 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-benzofuran-2-yl-(1-methylimidazol-2-yl)methanamine (R)-benzofuran-2-yl-(1-methylimi…

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) 1.63 5.21 -30.69 3 4 1 58 228.275 2 ↓
Hi High (pH 8-9.5) 1.63 4.62 -11.77 2 4 0 57 227.267 2 ↓
Mid Mid (pH 6-8) 1.63 5.53 -112.36 4 4 2 60 229.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (1R)-1-(benzofuran-2-yl)-N-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) 2.00 6.69 -40.52 2 4 1 48 242.302 3 ↓
Hi High (pH 8-9.5) 2.00 5.32 -13.29 1 4 0 43 241.294 3 ↓
Mid Mid (pH 6-8) 2.00 7.31 -105.86 3 4 2 49 243.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (1S)-1-(benzofuran-2-yl)-N-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) 2.00 6.44 -40.44 2 4 1 48 242.302 3 ↓
Hi High (pH 8-9.5) 2.00 5.27 -13.09 1 4 0 43 241.294 3 ↓
Mid Mid (pH 6-8) 2.00 7.08 -104.31 3 4 2 49 243.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine N-[(R)-benzofuran-2-yl-(1-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) 2.38 7.28 -39.11 2 4 1 48 256.329 4 ↓
Hi High (pH 8-9.5) 2.38 6.25 -13.04 1 4 0 43 255.321 4 ↓
Mid Mid (pH 6-8) 2.38 8.19 -104.71 3 4 2 49 257.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine N-[(S)-benzofuran-2-yl-(1-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) 2.38 7.28 -38.88 2 4 1 48 256.329 4 ↓
Hi High (pH 8-9.5) 2.38 6.4 -11.73 1 4 0 43 255.321 4 ↓
Mid Mid (pH 6-8) 2.38 7.92 -103.23 3 4 2 49 257.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine N-[(R)-benzofuran-2-yl-(1-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) 2.88 8.03 -39.53 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 2.88 7.01 -12.78 1 4 0 43 269.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine N-[(S)-benzofuran-2-yl-(1-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) 2.88 8.04 -39.24 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 2.88 7.16 -11.57 1 4 0 43 269.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-benzofuran-2-yl-(1-propylimidazol-2-yl)methanol (S)-benzofuran-2-yl-(1-propylimi…

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 6.33 -11.27 1 4 0 51 256.305 4 ↓
Mid Mid (pH 6-8) 2.46 6.9 -32.03 2 4 1 52 257.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-benzofuran-2-yl-(1-propylimidazol-2-yl)methanol (R)-benzofuran-2-yl-(1-propylimi…

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 6.04 -11.1 1 4 0 51 256.305 4 ↓
Mid Mid (pH 6-8) 2.46 6.58 -32.07 2 4 1 52 257.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-benzofuran-2-yl-(1-ethylimidazol-2-yl)methanol (S)-benzofuran-2-yl-(1-ethylimid…

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 6.14 -32.02 2 4 1 52 243.286 3 ↓
Mid Mid (pH 6-8) 1.96 5.59 -11.78 1 4 0 51 242.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-benzofuran-2-yl-(1-ethylimidazol-2-yl)methanol (R)-benzofuran-2-yl-(1-ethylimid…

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 5.83 -32.19 2 4 1 52 243.286 3 ↓
Mid Mid (pH 6-8) 1.96 5.28 -11.7 1 4 0 51 242.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-benzofuran-2-yl-(1-propylimidazol-2-yl)methanamine (S)-benzofuran-2-yl-(1-propylimi…

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 6.86 -31.44 3 4 1 58 256.329 4 ↓
Hi High (pH 8-9.5) 2.50 6.27 -10.86 2 4 0 57 255.321 4 ↓
Mid Mid (pH 6-8) 2.50 6.62 -44.24 3 4 1 59 256.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-benzofuran-2-yl-(1-propylimidazol-2-yl)methanamine (R)-benzofuran-2-yl-(1-propylimi…

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 6.62 -29.6 3 4 1 58 256.329 4 ↓
Hi High (pH 8-9.5) 2.50 6.12 -10.63 2 4 0 57 255.321 4 ↓
Mid Mid (pH 6-8) 2.50 6.47 -44.68 3 4 1 59 256.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-benzofuran-2-yl-(1-ethylimidazol-2-yl)methanamine (S)-benzofuran-2-yl-(1-ethylimid…

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 6.1 -29.63 3 4 1 58 242.302 3 ↓
Hi High (pH 8-9.5) 2.00 5.52 -11.06 2 4 0 57 241.294 3 ↓
Mid Mid (pH 6-8) 2.00 6.41 -110.97 4 4 2 60 243.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-benzofuran-2-yl-(1-ethylimidazol-2-yl)methanamine (R)-benzofuran-2-yl-(1-ethylimid…

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 5.87 -31.55 3 4 1 58 242.302 3 ↓
Hi High (pH 8-9.5) 2.00 5.36 -11.33 2 4 0 57 241.294 3 ↓
Mid Mid (pH 6-8) 2.00 6.19 -111.72 4 4 2 60 243.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (1S)-1-(benzofuran-2-yl)-N-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) 2.88 8.08 -39.45 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 2.88 6.99 -12.2 1 4 0 43 269.348 5 ↓
Mid Mid (pH 6-8) 2.88 8.71 -104.32 3 4 2 49 271.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (1R)-1-(benzofuran-2-yl)-N-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) 2.88 8.19 -39.65 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 2.88 6.8 -12.16 1 4 0 43 269.348 5 ↓
Mid Mid (pH 6-8) 2.88 8.78 -105.2 3 4 2 49 271.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-1-(1-ethylimidazol-2-yl)-N-methyl-methanamine (1S)-1-(benzofuran-2-yl)-1-(1-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) 2.38 7.34 -39.55 2 4 1 48 256.329 4 ↓
Hi High (pH 8-9.5) 2.38 6.23 -12.69 1 4 0 43 255.321 4 ↓
Mid Mid (pH 6-8) 2.38 7.95 -103.19 3 4 2 49 257.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-1-(1-ethylimidazol-2-yl)-N-methyl-methanamine (1R)-1-(benzofuran-2-yl)-1-(1-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) 2.38 7.43 -39.81 2 4 1 48 256.329 4 ↓
Hi High (pH 8-9.5) 2.38 6.05 -12.7 1 4 0 43 255.321 4 ↓
Mid Mid (pH 6-8) 2.38 8.03 -104.43 3 4 2 49 257.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-benzofuran-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine N-[(S)-benzofuran-2-yl-(1-propyl…

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) 3.25 8.93 -37.71 2 4 1 48 284.383 6 ↓
Hi High (pH 8-9.5) 3.25 7.92 -11.94 1 4 0 43 283.375 6 ↓
Mid Mid (pH 6-8) 3.25 9.58 -103.03 3 4 2 49 285.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-benzofuran-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine N-[(R)-benzofuran-2-yl-(1-propyl…

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) 3.25 9.03 -37.97 2 4 1 48 284.383 6 ↓
Hi High (pH 8-9.5) 3.25 7.74 -11.89 1 4 0 43 283.375 6 ↓
Mid Mid (pH 6-8) 3.25 9.62 -103.89 3 4 2 49 285.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-benzofuran-2-yl-(1-ethylimidazol-2-yl)methyl]ethanamine N-[(R)-benzofuran-2-yl-(1-ethyli…

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) 2.75 8.27 -38.23 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 2.75 7.01 -12.51 1 4 0 43 269.348 5 ↓
Mid Mid (pH 6-8) 2.75 8.87 -103.27 3 4 2 49 271.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-benzofuran-2-yl-(1-ethylimidazol-2-yl)methyl]ethanamine N-[(S)-benzofuran-2-yl-(1-ethyli…

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) 2.75 8.19 -37.87 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 2.75 7.14 -12.2 1 4 0 43 269.348 5 ↓
Mid Mid (pH 6-8) 2.75 8.82 -102 3 4 2 49 271.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-benzofuran-2-yl-(1-ethylimidazol-2-yl)methyl]propan-1-amine N-[(R)-benzofuran-2-yl-(1-ethyli…

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) 3.25 9.02 -38.61 2 4 1 48 284.383 6 ↓
Hi High (pH 8-9.5) 3.25 7.75 -12.3 1 4 0 43 283.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-benzofuran-2-yl-(1-ethylimidazol-2-yl)methyl]propan-1-amine N-[(S)-benzofuran-2-yl-(1-ethyli…

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) 3.25 8.94 -38.23 2 4 1 48 284.383 6 ↓
Hi High (pH 8-9.5) 3.25 8.06 -11 1 4 0 43 283.375 6 ↓

Parameters Provided:

ring.id = 345536
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 = 345536 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=345536&filter.purchasability=annotated

Embed Link to Results