Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_8cuevr1ga5tnc7luo75ubbpiq6, 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: N-(3-furylmethyl)-1-(2-methylthiazol-4-yl)methanamine N-(3-furylmethyl)-1-(2-methylthi…

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) 0.72 3.99 -39.03 2 3 1 43 209.294 4 ↓
Hi High (pH 8-9.5) 0.72 2.63 -6.88 1 3 0 38 208.286 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]-1-(2-methyl-3-furyl)methanamine N-methyl-N-[[2-(methylaminomethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 5.89 -92.59 3 4 2 47 267.398 6 ↓
Hi High (pH 8-9.5) 0.77 4.44 -36.14 2 4 1 42 266.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[methyl-[(2-methyl-3-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) 1.14 6.72 -92.07 3 4 2 47 281.425 7 ↓
Hi High (pH 8-9.5) 1.14 5.35 -35.67 2 4 1 42 280.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[[methyl-[(2-methyl-3-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) 1.65 7.48 -93.54 3 4 2 47 295.452 8 ↓
Hi High (pH 8-9.5) 1.65 6.11 -35.61 2 4 1 42 294.444 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[[methyl-[(2-methyl-3-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) 1.44 7.27 -91.11 3 4 2 47 295.452 7 ↓
Hi High (pH 8-9.5) 1.44 6.05 -35.86 2 4 1 42 294.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[4-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[4-[[methyl-[(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) 1.95 7.69 -89.75 3 4 2 47 309.479 7 ↓
Hi High (pH 8-9.5) 1.95 6.45 -35.68 2 4 1 42 308.471 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[4-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-1-amine 2-methyl-N-[[4-[[methyl-[(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) 1.89 8.19 -94.13 3 4 2 47 309.479 8 ↓
Hi High (pH 8-9.5) 1.89 6.82 -35.91 2 4 1 42 308.471 8 ↓
Hi High (pH 8-9.5) 1.89 5.83 -40.01 2 4 1 46 308.471 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-methyl-1-(2-methyl-3-furyl)methanamine N-[[2-(aminomethyl)thiazol-4-yl]…

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) 0.39 4.31 -98.09 4 4 2 58 253.371 5 ↓
Hi High (pH 8-9.5) 0.39 1.6 -6.65 2 4 0 55 251.355 5 ↓
Mid Mid (pH 6-8) 0.39 3.9 -36.75 3 4 1 56 252.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methanamine N-methyl-1-[3-[[methyl(thiazol-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) 1.05 5.15 -102.15 3 4 2 47 253.371 6 ↓
Hi High (pH 8-9.5) 1.05 2.79 -37.7 2 4 1 46 252.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]ethanamine N-[[3-[[methyl(thiazol-4-ylmethy…

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 6.01 -102.25 3 4 2 47 267.398 7 ↓
Hi High (pH 8-9.5) 1.43 3.65 -36.36 2 4 1 46 266.39 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[methyl(thiazol-4-ylmethy…

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) 1.93 6.76 -104.03 3 4 2 47 281.425 8 ↓
Hi High (pH 8-9.5) 1.93 4.4 -37.08 2 4 1 46 280.417 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[methyl(thiazol-4-ylmethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 6.53 -101.59 3 4 2 47 281.425 7 ↓
Hi High (pH 8-9.5) 1.73 4.17 -34.78 2 4 1 46 280.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(aminomethyl)-3-furyl]-N-methyl-N-(thiazol-4-ylmethyl)methanamine 1-[2-(aminomethyl)-3-furyl]-N-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) 0.68 3.28 -107.93 4 4 2 58 239.344 5 ↓
Hi High (pH 8-9.5) 0.68 0.92 -43.1 3 4 1 57 238.336 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-methyl-4-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methanamine [5-methyl-4-[[methyl(thiazol-4-y…

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) 0.90 4.44 -94.56 4 4 2 58 253.371 5 ↓
Hi High (pH 8-9.5) 0.90 2.14 -46.24 3 4 1 57 252.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[5-methyl-4-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methanamine N-methyl-1-[5-methyl-4-[[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) 1.27 6.31 -89.85 3 4 2 47 267.398 6 ↓
Hi High (pH 8-9.5) 1.27 4.01 -40.78 2 4 1 46 266.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]ethanamine N-[[5-methyl-4-[[methyl(thiazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 7.07 -89.72 3 4 2 47 281.425 7 ↓
Hi High (pH 8-9.5) 1.65 4.8 -39.92 2 4 1 46 280.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-1-amine N-[[5-methyl-4-[[methyl(thiazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 7.83 -91.11 3 4 2 47 295.452 8 ↓
Hi High (pH 8-9.5) 2.15 5.56 -40.68 2 4 1 46 294.444 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-2-amine N-[[5-methyl-4-[[methyl(thiazol-…

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) 1.95 7.69 -88.98 3 4 2 47 295.452 7 ↓
Hi High (pH 8-9.5) 1.95 5.39 -38.13 2 4 1 46 294.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-methyl-4-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[5-methyl-4-[[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) 2.46 8.11 -87.56 3 4 2 47 309.479 7 ↓
Hi High (pH 8-9.5) 2.46 5.8 -36.41 2 4 1 46 308.471 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-methyl-4-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[5-methyl-4-[[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) 2.40 8.62 -91.4 3 4 2 47 309.479 8 ↓
Hi High (pH 8-9.5) 2.40 6.31 -40.6 2 4 1 46 308.471 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[3-[[methyl(thiazol-…

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) 2.18 7.45 -105.05 3 4 2 47 295.452 8 ↓
Hi High (pH 8-9.5) 2.18 5.1 -36.83 2 4 1 46 294.444 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[3-[[methyl(thiazol-…

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) 2.24 6.96 -99.33 3 4 2 47 295.452 7 ↓
Hi High (pH 8-9.5) 2.24 4.6 -33.11 2 4 1 46 294.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[2-(methylaminomethyl)-3-furyl]methyl]-1-(2-methylthiazol-4-yl)methanamine N-methyl-N-[[2-(methylaminomethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 5.88 -102.17 3 4 2 47 267.398 6 ↓
Hi High (pH 8-9.5) 0.77 3.52 -37.82 2 4 1 46 266.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]ethanamine N-[[3-[[methyl-[(2-methylthiazol…

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) 1.14 6.75 -102.22 3 4 2 47 281.425 7 ↓
Hi High (pH 8-9.5) 1.14 4.39 -36.55 2 4 1 46 280.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[methyl-[(2-methylthiazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 7.5 -103.99 3 4 2 47 295.452 8 ↓
Hi High (pH 8-9.5) 1.65 5.14 -37.23 2 4 1 46 294.444 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[methyl-[(2-methylthiazol…

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 7.26 -100.14 3 4 2 47 295.452 7 ↓
Hi High (pH 8-9.5) 1.44 4.9 -34.9 2 4 1 46 294.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)-3-furyl]methyl]-N-methyl-1-(2-methylthiazol-4-yl)methanamine N-[[2-(aminomethyl)-3-furyl]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) 0.39 4.01 -107.94 4 4 2 58 253.371 5 ↓
Hi High (pH 8-9.5) 0.39 1.64 -43.3 3 4 1 57 252.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-methyl-4-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-2-furyl]methanamine [5-methyl-4-[[methyl-[(2-methylt…

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) 0.62 4.87 -97.13 4 4 2 58 267.398 5 ↓
Hi High (pH 8-9.5) 0.62 2.51 -46.81 3 4 1 57 266.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[5-methyl-4-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-2-furyl]methanamine N-methyl-1-[5-methyl-4-[[methyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 7.04 -89.87 3 4 2 47 281.425 6 ↓
Hi High (pH 8-9.5) 0.99 4.73 -40.92 2 4 1 46 280.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]ethanamine N-[[5-methyl-4-[[methyl-[(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) 1.37 7.8 -89.74 3 4 2 47 295.452 7 ↓
Hi High (pH 8-9.5) 1.37 5.53 -40.05 2 4 1 46 294.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine N-[[5-methyl-4-[[methyl-[(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) 1.87 8.55 -91.08 3 4 2 47 309.479 8 ↓
Hi High (pH 8-9.5) 1.87 6.28 -40.87 2 4 1 46 308.471 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine N-[[5-methyl-4-[[methyl-[(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) 1.66 8.42 -88.43 3 4 2 47 309.479 7 ↓
Hi High (pH 8-9.5) 1.66 6.11 -38.22 2 4 1 46 308.471 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[3-[[methyl-[(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) 1.89 8.18 -104.43 3 4 2 47 309.479 8 ↓
Hi High (pH 8-9.5) 1.89 5.82 -37.04 2 4 1 46 308.471 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[3-[[methyl-[(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) 1.95 7.67 -99.25 3 4 2 47 309.479 7 ↓
Hi High (pH 8-9.5) 1.95 5.31 -33.29 2 4 1 46 308.471 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[3-furylmethyl(methyl)amino]methyl]thiazol-2-yl]-N-methyl-methanamine 1-[4-[[3-furylmethyl(methyl)amin…

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) 0.55 5.37 -91.94 3 4 2 47 253.371 6 ↓
Hi High (pH 8-9.5) 0.55 3.93 -35.57 2 4 1 42 252.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[3-furylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[3-furylmethyl(methyl)ami…

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) 0.92 6.23 -91.57 3 4 2 47 267.398 7 ↓
Hi High (pH 8-9.5) 0.92 4.86 -35.32 2 4 1 42 266.39 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[3-furylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[[3-furylmethyl(methyl)ami…

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 6.98 -93.03 3 4 2 47 281.425 8 ↓
Hi High (pH 8-9.5) 1.43 5.62 -35.26 2 4 1 42 280.417 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[3-furylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[[3-furylmethyl(methyl)ami…

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 6.76 -90.55 3 4 2 47 281.425 7 ↓
Hi High (pH 8-9.5) 1.22 5.55 -35.17 2 4 1 42 280.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[3-furylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-[[3-furylmethyl(methyl)ami…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 7.19 -89.16 3 4 2 47 295.452 7 ↓
Hi High (pH 8-9.5) 1.73 5.94 -35.04 2 4 1 42 294.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[3-furylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[4-[[3-furylmethyl(methyl)ami…

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) 1.67 7.68 -93.52 3 4 2 47 295.452 8 ↓
Hi High (pH 8-9.5) 1.67 6.31 -35.28 2 4 1 42 294.444 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-1-(3-furyl)-N-methyl-methanamine N-[[2-(aminomethyl)thiazol-4-yl]…

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) 0.17 3.5 -97.15 4 4 2 58 239.344 5 ↓
Mid Mid (pH 6-8) 0.17 3.09 -36.09 3 4 1 56 238.336 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-furylmethyl(methyl)amino]methyl]thiazol-2-amine 4-[[3-furylmethyl(methyl)amino]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) 0.86 4.43 -35.28 3 4 1 56 224.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-furylmethyl(methyl)amino]methyl]thiazole-2-carboxylic 4-[[3-furylmethyl(methyl)amino]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) 0.56 5.98 -60.39 1 5 0 71 252.295 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]thiazol-2-amine 4-[[methyl-[(2-methyl-3-furyl)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) 1.08 4.92 -35.51 3 4 1 56 238.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]thiazole-2-carboxylic 4-[[methyl-[(2-methyl-3-furyl)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) 0.78 6.44 -60.39 1 5 0 71 266.322 5 ↓
Hi High (pH 8-9.5) 0.78 4.1 -49.62 0 5 -1 69 265.314 5 ↓

Parameters Provided:

ring.id = 179236
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 = 179236 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=179236&filter.purchasability=annotated

Embed Link to Results