Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_57gj3rfocvc8b5bconch0jn2e5, 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

32166581
32166581
39051889
39051889

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-pyridyl)ethyl]pyridine 3-[2-(4-pyridyl)ethyl]pyridine

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 0.44 -6.81 0 2 0 26 184.242 3 ↓
Lo Low (pH 4.5-6) 1.40 0.55 -37.35 1 2 1 27 185.25 3 ↓
Lo Low (pH 4.5-6) 1.40 0.55 -36.38 1 2 1 27 185.25 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethanol (1R)-1-(6-methyl-3-pyridyl)-2-(4…

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) 0.46 3.63 -8.74 1 3 0 46 214.268 3 ↓
Lo Low (pH 4.5-6) 0.46 4.09 -37.39 2 3 1 47 215.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethanol (1S)-1-(6-methyl-3-pyridyl)-2-(4…

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) 0.46 3.65 -8.79 1 3 0 46 214.268 3 ↓
Lo Low (pH 4.5-6) 0.46 4.1 -37.49 2 3 1 47 215.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethanamine (1R)-1-(6-methyl-3-pyridyl)-2-(4…

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 4.12 -50.74 3 3 1 53 214.292 3 ↓
Mid Mid (pH 6-8) -1.24 3.81 -6.95 2 3 0 52 213.284 3 ↓
Lo Low (pH 4.5-6) -1.24 4.54 -116.7 4 3 2 55 215.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethanamine (1S)-1-(6-methyl-3-pyridyl)-2-(4…

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 4.12 -50.72 3 3 1 53 214.292 3 ↓
Mid Mid (pH 6-8) -1.24 3.78 -7.04 2 3 0 52 213.284 3 ↓
Lo Low (pH 4.5-6) -1.24 4.54 -116.74 4 3 2 55 215.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethanamine (1R)-N-methyl-1-(6-methyl-3-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.01 5.83 -44.76 2 3 1 42 228.319 4 ↓
Hi High (pH 8-9.5) 1.01 4.7 -6.15 1 3 0 38 227.311 4 ↓
Lo Low (pH 4.5-6) 1.01 6.26 -109.85 3 3 2 44 229.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethanamine (1S)-N-methyl-1-(6-methyl-3-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.01 5.65 -49.51 2 3 1 42 228.319 4 ↓
Hi High (pH 8-9.5) 1.01 4.74 -6.81 1 3 0 38 227.311 4 ↓
Lo Low (pH 4.5-6) 1.01 6.08 -111.63 3 3 2 44 229.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethanamine (1S)-N-ethyl-1-(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) 1.39 6.51 -47.99 2 3 1 42 242.346 5 ↓
Hi High (pH 8-9.5) 1.39 5.65 -6.01 1 3 0 38 241.338 5 ↓
Lo Low (pH 4.5-6) 1.39 6.93 -106.07 3 3 2 44 243.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethanamine (1R)-N-ethyl-1-(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) 1.39 6.65 -43.06 2 3 1 42 242.346 5 ↓
Hi High (pH 8-9.5) 1.39 5.68 -6.57 1 3 0 38 241.338 5 ↓
Lo Low (pH 4.5-6) 1.39 7.12 -107.4 3 3 2 44 243.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethyl]propan-1-amine N-[(1S)-1-(6-methyl-3-pyridyl)-2…

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) 1.89 7.26 -48.81 2 3 1 42 256.373 6 ↓
Hi High (pH 8-9.5) 1.89 6.41 -5.91 1 3 0 38 255.365 6 ↓
Lo Low (pH 4.5-6) 1.89 7.68 -108.06 3 3 2 44 257.381 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethyl]propan-1-amine N-[(1R)-1-(6-methyl-3-pyridyl)-2…

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) 1.89 7.41 -43.84 2 3 1 42 256.373 6 ↓
Hi High (pH 8-9.5) 1.89 6.44 -6.5 1 3 0 38 255.365 6 ↓
Lo Low (pH 4.5-6) 1.89 7.88 -109.08 3 3 2 44 257.381 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-amino-3-pyridyl)-2-(4-pyridyl)ethanol (1R)-1-(2-amino-3-pyridyl)-2-(4-…

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 1.92 -9.05 3 4 0 72 215.256 3 ↓
Mid Mid (pH 6-8) 0.18 2.39 -38.93 4 4 1 73 216.264 3 ↓
Lo Low (pH 4.5-6) 0.18 2.85 -80.57 5 4 2 75 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-amino-3-pyridyl)-2-(4-pyridyl)ethanol (1S)-1-(2-amino-3-pyridyl)-2-(4-…

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 1.92 -9.07 3 4 0 72 215.256 3 ↓
Mid Mid (pH 6-8) 0.18 2.39 -38.94 4 4 1 73 216.264 3 ↓
Lo Low (pH 4.5-6) 0.18 2.85 -80.57 5 4 2 75 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-amino-3-pyridyl)-2-(4-pyridyl)ethanol (1S)-1-(4-amino-3-pyridyl)-2-(4-…

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 1.47 -39.61 4 4 1 73 216.264 3 ↓
Hi High (pH 8-9.5) -0.18 1 -9.23 3 4 0 72 215.256 3 ↓
Lo Low (pH 4.5-6) -0.18 1.93 -80.99 5 4 2 75 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-amino-3-pyridyl)-2-(4-pyridyl)ethanol (1R)-1-(4-amino-3-pyridyl)-2-(4-…

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 1.47 -39.61 4 4 1 73 216.264 3 ↓
Hi High (pH 8-9.5) -0.18 1 -9.22 3 4 0 72 215.256 3 ↓
Lo Low (pH 4.5-6) -0.18 1.93 -81.02 5 4 2 75 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-amino-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(1R)-1-amino-2-(4-pyridyl)eth…

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 2.38 -52.27 5 4 1 79 215.28 3 ↓
Mid Mid (pH 6-8) -1.52 2.08 -7.31 4 4 0 78 214.272 3 ↓
Mid Mid (pH 6-8) -1.52 2.85 -111.26 6 4 2 81 216.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-amino-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(1S)-1-amino-2-(4-pyridyl)eth…

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 2.41 -52.39 5 4 1 79 215.28 3 ↓
Mid Mid (pH 6-8) -1.52 2.89 -111.3 6 4 2 81 216.288 3 ↓
Mid Mid (pH 6-8) -1.52 2.09 -7.18 4 4 0 78 214.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-amino-2-(4-pyridyl)ethyl]pyridin-4-amine 3-[(1S)-1-amino-2-(4-pyridyl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.88 1.94 -115.58 6 4 2 81 216.288 3 ↓
Mid Mid (pH 6-8) -1.88 1.63 -35.19 5 4 1 79 215.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-amino-2-(4-pyridyl)ethyl]pyridin-4-amine 3-[(1R)-1-amino-2-(4-pyridyl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.88 1.92 -115.58 6 4 2 81 216.288 3 ↓
Mid Mid (pH 6-8) -1.88 1.63 -37.32 5 4 1 79 215.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(4-amino-3-pyridyl)-1-(4-pyridyl)ethanol (1R)-2-(4-amino-3-pyridyl)-1-(4-…

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 1.42 -37.09 4 4 1 73 216.264 3 ↓
Lo Low (pH 4.5-6) -0.18 1.88 -81.76 5 4 2 75 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4-amino-3-pyridyl)-1-(4-pyridyl)ethanol (1S)-2-(4-amino-3-pyridyl)-1-(4-…

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 2.03 -37.17 4 4 1 73 216.264 3 ↓
Lo Low (pH 4.5-6) -0.18 2.49 -81.96 5 4 2 75 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-amino-2-(4-pyridyl)ethyl]pyridin-4-amine 3-[(2R)-2-amino-2-(4-pyridyl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.88 1.58 -34.11 5 4 1 79 215.28 3 ↓
Mid Mid (pH 6-8) -1.88 1.86 -114.8 6 4 2 81 216.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-amino-2-(4-pyridyl)ethyl]pyridin-4-amine 3-[(2S)-2-amino-2-(4-pyridyl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.88 2.13 -37.11 5 4 1 79 215.28 3 ↓
Mid Mid (pH 6-8) -1.88 2.45 -110.2 6 4 2 81 216.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-amino-4-pyridyl)-1-(3-pyridyl)ethanol (1R)-2-(2-amino-4-pyridyl)-1-(3-…

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) 0.23 2.25 -34.87 4 4 1 73 216.264 3 ↓
Mid Mid (pH 6-8) 0.23 1.77 -9.12 3 4 0 72 215.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-amino-4-pyridyl)-1-(3-pyridyl)ethanol (1S)-2-(2-amino-4-pyridyl)-1-(3-…

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) 0.23 2.26 -35.04 4 4 1 73 216.264 3 ↓
Mid Mid (pH 6-8) 0.23 1.79 -9.16 3 4 0 72 215.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-amino-2-(3-pyridyl)ethyl]pyridin-2-amine 4-[(2R)-2-amino-2-(3-pyridyl)eth…

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) -1.47 2.73 -106.98 6 4 2 81 216.288 3 ↓
Hi High (pH 8-9.5) -1.47 1.95 -7.37 4 4 0 78 214.272 3 ↓
Hi High (pH 8-9.5) -1.47 2.4 -35.49 5 4 1 79 215.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-amino-2-(3-pyridyl)ethyl]pyridin-2-amine 4-[(2S)-2-amino-2-(3-pyridyl)eth…

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) -1.47 2.73 -106.62 6 4 2 81 216.288 3 ↓
Hi High (pH 8-9.5) -1.47 1.92 -7.27 4 4 0 78 214.272 3 ↓
Hi High (pH 8-9.5) -1.47 2.42 -32.53 5 4 1 79 215.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-amino-3-pyridyl)-1-(4-pyridyl)ethanol (1S)-2-(2-amino-3-pyridyl)-1-(4-…

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 2.91 -36.19 4 4 1 73 216.264 3 ↓
Mid Mid (pH 6-8) 0.18 2.44 -9.25 3 4 0 72 215.256 3 ↓
Lo Low (pH 4.5-6) 0.18 3.37 -80.66 5 4 2 75 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-amino-3-pyridyl)-1-(4-pyridyl)ethanol (1R)-2-(2-amino-3-pyridyl)-1-(4-…

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 2.34 -36.34 4 4 1 73 216.264 3 ↓
Mid Mid (pH 6-8) 0.18 1.86 -9.36 3 4 0 72 215.256 3 ↓
Lo Low (pH 4.5-6) 0.18 2.79 -81.24 5 4 2 75 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-amino-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(2S)-2-amino-2-(4-pyridyl)eth…

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 2.69 -48.03 5 4 1 79 215.28 3 ↓
Hi High (pH 8-9.5) -1.52 2.4 -6.88 4 4 0 78 214.272 3 ↓
Mid Mid (pH 6-8) -1.52 3.04 -33.61 5 4 1 79 215.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-amino-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(2R)-2-amino-2-(4-pyridyl)eth…

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 2.34 -51.84 5 4 1 79 215.28 3 ↓
Hi High (pH 8-9.5) -1.52 2.03 -7.36 4 4 0 78 214.272 3 ↓
Mid Mid (pH 6-8) -1.52 2.81 -110.55 6 4 2 81 216.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-(methylamino)-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(1S)-1-(methylamino)-2-(4-pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.73 3.96 -47.21 4 4 1 68 229.307 4 ↓
Hi High (pH 8-9.5) 0.73 3.22 -6.34 3 4 0 64 228.299 4 ↓
Mid Mid (pH 6-8) 0.73 4.43 -101.8 5 4 2 70 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-(methylamino)-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(1R)-1-(methylamino)-2-(4-pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.73 4.05 -46 4 4 1 68 229.307 4 ↓
Hi High (pH 8-9.5) 0.73 3.01 -6.94 3 4 0 64 228.299 4 ↓
Mid Mid (pH 6-8) 0.73 4.53 -104.94 5 4 2 70 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-(methylamino)-2-(4-pyridyl)ethyl]pyridin-4-amine 3-[(1S)-1-(methylamino)-2-(4-pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.37 3.45 -102.1 5 4 2 70 230.315 4 ↓
Mid Mid (pH 6-8) 0.37 2.79 -33.49 4 4 1 65 229.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-(methylamino)-2-(4-pyridyl)ethyl]pyridin-4-amine 3-[(1R)-1-(methylamino)-2-(4-pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.37 3.53 -108.73 5 4 2 70 230.315 4 ↓
Mid Mid (pH 6-8) 0.37 2.56 -37.1 4 4 1 65 229.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-(ethylamino)-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(1S)-1-(ethylamino)-2-(4-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.11 4.78 -45.36 4 4 1 68 243.334 5 ↓
Hi High (pH 8-9.5) 1.11 4.14 -6.13 3 4 0 64 242.326 5 ↓
Mid Mid (pH 6-8) 1.11 5.26 -101.4 5 4 2 70 244.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-(ethylamino)-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(1R)-1-(ethylamino)-2-(4-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.11 4.89 -43.87 4 4 1 68 243.334 5 ↓
Hi High (pH 8-9.5) 1.11 3.92 -6.73 3 4 0 64 242.326 5 ↓
Mid Mid (pH 6-8) 1.11 5.36 -104.31 5 4 2 70 244.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-(ethylamino)-2-(4-pyridyl)ethyl]pyridin-4-amine 3-[(1S)-1-(ethylamino)-2-(4-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) 0.74 4.27 -101.42 5 4 2 70 244.342 5 ↓
Mid Mid (pH 6-8) 0.74 3.71 -33.61 4 4 1 65 243.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-(ethylamino)-2-(4-pyridyl)ethyl]pyridin-4-amine 3-[(1R)-1-(ethylamino)-2-(4-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) 0.74 4.37 -107.69 5 4 2 70 244.342 5 ↓
Mid Mid (pH 6-8) 0.74 3.47 -37.37 4 4 1 65 243.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-(propylamino)-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(1S)-1-(propylamino)-2-(4-pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 5.53 -45.9 4 4 1 68 257.361 6 ↓
Hi High (pH 8-9.5) 1.61 4.94 -6.07 3 4 0 64 256.353 6 ↓
Mid Mid (pH 6-8) 1.61 6.01 -102.97 5 4 2 70 258.369 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-(propylamino)-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(1R)-1-(propylamino)-2-(4-pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 5.65 -44.61 4 4 1 68 257.361 6 ↓
Hi High (pH 8-9.5) 1.61 4.68 -6.74 3 4 0 64 256.353 6 ↓
Mid Mid (pH 6-8) 1.61 6.11 -105.91 5 4 2 70 258.369 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-(propylamino)-2-(4-pyridyl)ethyl]pyridin-4-amine 3-[(1S)-1-(propylamino)-2-(4-pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 5.02 -103.11 5 4 2 70 258.369 6 ↓
Mid Mid (pH 6-8) 1.25 4.47 -33.79 4 4 1 65 257.361 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-(propylamino)-2-(4-pyridyl)ethyl]pyridin-4-amine 3-[(1R)-1-(propylamino)-2-(4-pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 5.13 -109.48 5 4 2 70 258.369 6 ↓
Mid Mid (pH 6-8) 1.25 4.23 -37.56 4 4 1 65 257.361 6 ↓

Parameters Provided:

ring.id = 40517
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 = 40517 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=40517&filter.purchasability=annotated

Embed Link to Results