Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_mov2lgjua6tk86tf2nmsnb9qu5, 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

43608634
43608634

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2-furyl(3-pyridyl)methyl]propan-1-amine N-[(S)-2-furyl(3-pyridyl)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) 2.17 6.01 -39.1 2 3 1 43 217.292 5 ↓
Hi High (pH 8-9.5) 2.17 4.86 -6.09 1 3 0 38 216.284 5 ↓

Analogs

43608632
43608632

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2-furyl(3-pyridyl)methyl]propan-1-amine N-[(R)-2-furyl(3-pyridyl)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) 2.17 6.01 -39.1 2 3 1 43 217.292 5 ↓
Hi High (pH 8-9.5) 2.17 4.94 -5.83 1 3 0 38 216.284 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2-furyl(3-pyridyl)methanol (S)-2-furyl(3-pyridyl)methanol

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) 0.88 2.33 -7.29 1 3 0 46 175.187 2 ↓
Lo Low (pH 4.5-6) 0.88 2.79 -35.04 2 3 1 48 176.195 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2-furyl(3-pyridyl)methanol (R)-2-furyl(3-pyridyl)methanol

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) 0.88 2.23 -7.29 1 3 0 46 175.187 2 ↓
Lo Low (pH 4.5-6) 0.88 2.69 -35.01 2 3 1 48 176.195 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-fluoro-3-pyridyl)-(2-furyl)methanol (R)-(5-fluoro-3-pyridyl)-(2-fury…

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) 1.19 2.29 -6.26 1 3 0 46 193.177 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-fluoro-3-pyridyl)-(2-furyl)methanol (S)-(5-fluoro-3-pyridyl)-(2-fury…

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) 1.19 2.4 -6.23 1 3 0 46 193.177 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2-furyl-(6-methyl-3-pyridyl)methanol (S)-2-furyl-(6-methyl-3-pyridyl)…

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 2.94 -7.48 1 3 0 46 189.214 2 ↓
Lo Low (pH 4.5-6) 0.93 3.37 -32.03 2 3 1 48 190.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2-furyl-(6-methyl-3-pyridyl)methanol (R)-2-furyl-(6-methyl-3-pyridyl)…

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 2.84 -7.5 1 3 0 46 189.214 2 ↓
Lo Low (pH 4.5-6) 0.93 3.26 -32 2 3 1 48 190.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2-furyl-(6-methyl-3-pyridyl)methanamine (S)-2-furyl-(6-methyl-3-pyridyl)…

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 3.18 -45.88 3 3 1 54 189.238 2 ↓
Hi High (pH 8-9.5) 0.97 2.86 -6.79 2 3 0 52 188.23 2 ↓
Lo Low (pH 4.5-6) 0.97 3.61 -104.89 4 3 2 55 190.246 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2-furyl-(6-methyl-3-pyridyl)methanamine (R)-2-furyl-(6-methyl-3-pyridyl)…

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 3.18 -45.88 3 3 1 54 189.238 2 ↓
Hi High (pH 8-9.5) 0.97 2.86 -6.57 2 3 0 52 188.23 2 ↓
Lo Low (pH 4.5-6) 0.97 3.61 -104.88 4 3 2 55 190.246 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-furyl)-N-methyl-1-(6-methyl-3-pyridyl)methanamine (1S)-1-(2-furyl)-N-methyl-1-(6-m…

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 4.89 -40.14 2 3 1 43 203.265 3 ↓
Hi High (pH 8-9.5) 1.35 3.73 -6.75 1 3 0 38 202.257 3 ↓
Lo Low (pH 4.5-6) 1.35 5.32 -97.87 3 3 2 44 204.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-furyl)-N-methyl-1-(6-methyl-3-pyridyl)methanamine (1R)-1-(2-furyl)-N-methyl-1-(6-m…

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 5.02 -40.32 2 3 1 43 203.265 3 ↓
Hi High (pH 8-9.5) 1.35 3.72 -6.78 1 3 0 38 202.257 3 ↓
Lo Low (pH 4.5-6) 1.35 5.45 -98.45 3 3 2 44 204.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2-furyl-(6-methyl-3-pyridyl)methyl]ethanamine N-[(S)-2-furyl-(6-methyl-3-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) 1.72 5.86 -38.64 2 3 1 43 217.292 4 ↓
Hi High (pH 8-9.5) 1.72 4.72 -6.47 1 3 0 38 216.284 4 ↓
Lo Low (pH 4.5-6) 1.72 6.31 -97.36 3 3 2 44 218.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2-furyl-(6-methyl-3-pyridyl)methyl]ethanamine N-[(R)-2-furyl-(6-methyl-3-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) 1.72 5.86 -38.64 2 3 1 43 217.292 4 ↓
Hi High (pH 8-9.5) 1.72 4.79 -6.23 1 3 0 38 216.284 4 ↓
Lo Low (pH 4.5-6) 1.72 6.31 -97.46 3 3 2 44 218.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2-furyl-(6-methyl-3-pyridyl)methyl]propan-1-amine N-[(S)-2-furyl-(6-methyl-3-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) 2.23 6.62 -39.27 2 3 1 43 231.319 5 ↓
Hi High (pH 8-9.5) 2.23 5.47 -6.36 1 3 0 38 230.311 5 ↓
Lo Low (pH 4.5-6) 2.23 7.06 -99.05 3 3 2 44 232.327 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2-furyl-(6-methyl-3-pyridyl)methyl]propan-1-amine N-[(R)-2-furyl-(6-methyl-3-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) 2.23 6.62 -39.21 2 3 1 43 231.319 5 ↓
Hi High (pH 8-9.5) 2.23 5.55 -6.11 1 3 0 38 230.311 5 ↓
Lo Low (pH 4.5-6) 2.23 7.06 -99.07 3 3 2 44 232.327 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-amino-3-pyridyl)-(5-methyl-2-furyl)methanol (R)-(2-amino-3-pyridyl)-(5-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) 0.87 1.94 -7.54 3 4 0 72 204.229 2 ↓
Mid Mid (pH 6-8) 0.87 2.41 -33.48 4 4 1 74 205.237 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-amino-3-pyridyl)-(5-methyl-2-furyl)methanol (S)-(2-amino-3-pyridyl)-(5-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) 0.87 2.1 -7.49 3 4 0 72 204.229 2 ↓
Mid Mid (pH 6-8) 0.87 2.57 -33.61 4 4 1 74 205.237 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-amino-3-pyridyl)-(5-methyl-2-furyl)methanol (R)-(4-amino-3-pyridyl)-(5-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) 0.51 1.48 -33.51 4 4 1 74 205.237 2 ↓
Hi High (pH 8-9.5) 0.51 1.01 -8.05 3 4 0 72 204.229 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-amino-3-pyridyl)-(5-methyl-2-furyl)methanol (S)-(4-amino-3-pyridyl)-(5-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) 0.51 1.64 -33.55 4 4 1 74 205.237 2 ↓
Hi High (pH 8-9.5) 0.51 1.17 -8.05 3 4 0 72 204.229 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-amino-3-pyridyl)-(5-bromo-2-furyl)methanol (S)-(2-amino-3-pyridyl)-(5-bromo…

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 2 -6.93 3 4 0 72 269.098 2 ↓
Mid Mid (pH 6-8) 1.58 2.48 -35.18 4 4 1 74 270.106 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-amino-3-pyridyl)-(5-bromo-2-furyl)methanol (R)-(2-amino-3-pyridyl)-(5-bromo…

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 1.85 -6.98 3 4 0 72 269.098 2 ↓
Mid Mid (pH 6-8) 1.58 2.33 -35 4 4 1 74 270.106 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-amino-3-pyridyl)-(5-bromo-2-furyl)methanol (R)-(4-amino-3-pyridyl)-(5-bromo…

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 1.39 -34.44 4 4 1 74 270.106 2 ↓
Hi High (pH 8-9.5) 1.22 0.93 -7.86 3 4 0 72 269.098 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-amino-3-pyridyl)-(5-bromo-2-furyl)methanol (S)-(4-amino-3-pyridyl)-(5-bromo…

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 1.54 -34.53 4 4 1 74 270.106 2 ↓
Hi High (pH 8-9.5) 1.22 1.08 -7.85 3 4 0 72 269.098 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-amino-3-pyridyl)-(2-furyl)methanol (S)-(2-amino-3-pyridyl)-(2-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) 0.65 1.27 -7.37 3 4 0 72 190.202 2 ↓
Mid Mid (pH 6-8) 0.65 1.74 -33.51 4 4 1 74 191.21 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-amino-3-pyridyl)-(2-furyl)methanol (R)-(2-amino-3-pyridyl)-(2-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) 0.65 1.13 -7.37 3 4 0 72 190.202 2 ↓
Mid Mid (pH 6-8) 0.65 1.6 -33.39 4 4 1 74 191.21 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-amino-3-pyridyl)-(2-furyl)methanol (R)-(4-amino-3-pyridyl)-(2-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) 0.29 0.67 -33.52 4 4 1 74 191.21 2 ↓
Hi High (pH 8-9.5) 0.29 0.2 -7.86 3 4 0 72 190.202 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-amino-3-pyridyl)-(2-furyl)methanol (S)-(4-amino-3-pyridyl)-(2-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) 0.29 0.81 -33.55 4 4 1 74 191.21 2 ↓
Hi High (pH 8-9.5) 0.29 0.34 -7.82 3 4 0 72 190.202 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-amino-3-pyridyl)-(4,5-dibromo-2-furyl)methanol (S)-(2-amino-3-pyridyl)-(4,5-dib…

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) 2.32 2.6 -6.5 3 4 0 72 347.994 2 ↓
Mid Mid (pH 6-8) 2.32 3.07 -35.83 4 4 1 74 349.002 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-amino-3-pyridyl)-(4,5-dibromo-2-furyl)methanol (R)-(2-amino-3-pyridyl)-(4,5-dib…

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) 2.32 2.46 -6.6 3 4 0 72 347.994 2 ↓
Mid Mid (pH 6-8) 2.32 2.93 -35.7 4 4 1 74 349.002 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-amino-3-pyridyl)-(4,5-dibromo-2-furyl)methanol (S)-(4-amino-3-pyridyl)-(4,5-dib…

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 2.14 -35.7 4 4 1 74 349.002 2 ↓
Hi High (pH 8-9.5) 1.96 1.68 -7.16 3 4 0 72 347.994 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-amino-3-pyridyl)-(4,5-dibromo-2-furyl)methanol (R)-(4-amino-3-pyridyl)-(4,5-dib…

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 2 -35.59 4 4 1 74 349.002 2 ↓
Hi High (pH 8-9.5) 1.96 1.54 -7.18 3 4 0 72 347.994 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-amino-3-pyridyl)-(5-ethyl-2-furyl)methanol (R)-(2-amino-3-pyridyl)-(5-ethyl…

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 2.72 -7.24 3 4 0 72 218.256 3 ↓
Mid Mid (pH 6-8) 1.44 3.2 -33.39 4 4 1 74 219.264 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-amino-3-pyridyl)-(5-ethyl-2-furyl)methanol (S)-(2-amino-3-pyridyl)-(5-ethyl…

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 2.88 -7.29 3 4 0 72 218.256 3 ↓
Mid Mid (pH 6-8) 1.44 3.35 -33.42 4 4 1 74 219.264 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-amino-3-pyridyl)-(5-ethyl-2-furyl)methanol (R)-(4-amino-3-pyridyl)-(5-ethyl…

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 2.26 -33.37 4 4 1 74 219.264 3 ↓
Hi High (pH 8-9.5) 1.08 1.8 -7.76 3 4 0 72 218.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-amino-3-pyridyl)-(5-ethyl-2-furyl)methanol (S)-(4-amino-3-pyridyl)-(5-ethyl…

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 2.42 -33.32 4 4 1 74 219.264 3 ↓
Hi High (pH 8-9.5) 1.08 1.95 -7.86 3 4 0 72 218.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-amino(2-furyl)methyl]pyridin-2-amine 3-[(S)-amino(2-furyl)methyl]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) 0.69 1.48 -46.73 5 4 1 80 190.226 2 ↓
Mid Mid (pH 6-8) 0.69 1.16 -6.29 4 4 0 78 189.218 2 ↓
Mid Mid (pH 6-8) 0.69 1.96 -101.34 6 4 2 81 191.234 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(R)-amino(2-furyl)methyl]pyridin-2-amine 3-[(R)-amino(2-furyl)methyl]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) 0.69 1.52 -47.03 5 4 1 80 190.226 2 ↓
Mid Mid (pH 6-8) 0.69 1.18 -6.63 4 4 0 78 189.218 2 ↓
Mid Mid (pH 6-8) 0.69 1.99 -101.35 6 4 2 81 191.234 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(R)-amino(2-furyl)methyl]pyridin-4-amine 3-[(R)-amino(2-furyl)methyl]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) 0.33 1.06 -105.35 6 4 2 81 191.234 2 ↓
Mid Mid (pH 6-8) 0.33 0.72 -32.55 5 4 1 79 190.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-amino(2-furyl)methyl]pyridin-4-amine 3-[(S)-amino(2-furyl)methyl]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) 0.33 1.04 -104.92 6 4 2 81 191.234 2 ↓
Mid Mid (pH 6-8) 0.33 0.7 -30.55 5 4 1 79 190.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-2-furyl(methylamino)methyl]pyridin-2-amine 3-[(S)-2-furyl(methylamino)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) 1.07 3.12 -40.63 4 4 1 69 204.253 3 ↓
Hi High (pH 8-9.5) 1.07 2.1 -6.4 3 4 0 64 203.245 3 ↓
Mid Mid (pH 6-8) 1.07 3.6 -94.97 5 4 2 70 205.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(R)-2-furyl(methylamino)methyl]pyridin-2-amine 3-[(R)-2-furyl(methylamino)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) 1.07 3.42 -41.41 4 4 1 69 204.253 3 ↓
Hi High (pH 8-9.5) 1.07 2.25 -6.02 3 4 0 64 203.245 3 ↓
Mid Mid (pH 6-8) 1.07 3.9 -95.51 5 4 2 70 205.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(R)-2-furyl(methylamino)methyl]pyridin-4-amine 3-[(R)-2-furyl(methylamino)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) 0.71 2.95 -99.07 5 4 2 70 205.261 3 ↓
Hi High (pH 8-9.5) 0.71 1.82 -28.93 4 4 1 65 204.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-2-furyl(methylamino)methyl]pyridin-4-amine 3-[(S)-2-furyl(methylamino)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) 0.71 2.63 -97.95 5 4 2 70 205.261 3 ↓
Hi High (pH 8-9.5) 0.71 1.66 -31.81 4 4 1 65 204.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-ethylamino(2-furyl)methyl]pyridin-2-amine 3-[(S)-ethylamino(2-furyl)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) 1.44 4.2 -39.01 4 4 1 69 218.28 4 ↓
Hi High (pH 8-9.5) 1.44 3.04 -6.14 3 4 0 64 217.272 4 ↓
Mid Mid (pH 6-8) 1.44 4.67 -94.49 5 4 2 70 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(R)-ethylamino(2-furyl)methyl]pyridin-2-amine 3-[(R)-ethylamino(2-furyl)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) 1.44 4.25 -39.29 4 4 1 69 218.28 4 ↓
Hi High (pH 8-9.5) 1.44 3.28 -5.7 3 4 0 64 217.272 4 ↓
Mid Mid (pH 6-8) 1.44 4.73 -94.46 5 4 2 70 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(R)-ethylamino(2-furyl)methyl]pyridin-4-amine 3-[(R)-ethylamino(2-furyl)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) 1.08 3.79 -97.72 5 4 2 70 219.288 4 ↓
Hi High (pH 8-9.5) 1.08 2.75 -29.73 4 4 1 65 218.28 4 ↓
Hi High (pH 8-9.5) 1.08 3.32 -37.88 4 4 1 69 218.28 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-ethylamino(2-furyl)methyl]pyridin-4-amine 3-[(S)-ethylamino(2-furyl)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) 1.08 3.47 -96.6 5 4 2 70 219.288 4 ↓
Hi High (pH 8-9.5) 1.08 3.29 -37.81 4 4 1 69 218.28 4 ↓
Hi High (pH 8-9.5) 1.08 2.58 -31.78 4 4 1 65 218.28 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-bromo-2-furyl)methyl]pyridin-4-amine 3-[(3-bromo-2-furyl)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) 2.07 4.26 -30.52 3 3 1 53 254.107 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-furylmethyl)pyridin-4-amine 3-(2-furylmethyl)pyridin-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) 1.33 3.69 -32.37 3 3 1 53 175.211 2 ↓

Parameters Provided:

ring.id = 1816
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 = 1816 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=1816&filter.purchasability=annotated

Embed Link to Results