Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_8ej36cti0svo8vfn6cg03ql2s1, 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: (1R)-1-cyclopropyl-2-imidazol-1-yl-N-methyl-ethanamine (1R)-1-cyclopropyl-2-imidazol-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.64 6.73 -98.13 3 3 2 36 167.256 4 ↓
Mid Mid (pH 6-8) 0.64 5.61 -41.59 2 3 1 34 166.248 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-imidazol-1-yl-N-methyl-ethanamine (1S)-1-cyclopropyl-2-imidazol-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.64 6.41 -98.1 3 3 2 36 167.256 4 ↓
Mid Mid (pH 6-8) 0.64 5.9 -42.08 2 3 1 34 166.248 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-imidazol-1-yl-ethanamine (1R)-1-cyclopropyl-N-ethyl-2-imi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.01 7.11 -100.43 3 3 2 36 181.283 5 ↓
Mid Mid (pH 6-8) 1.01 6.6 -40.65 2 3 1 34 180.275 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-imidazol-1-yl-ethanamine (1S)-1-cyclopropyl-N-ethyl-2-imi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.01 7.38 -97.52 3 3 2 36 181.283 5 ↓
Mid Mid (pH 6-8) 1.01 6.86 -41.14 2 3 1 34 180.275 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-imidazol-1-yl-ethanamine (1R)-1-cyclopropyl-2-imidazol-1-…

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) -0.27 5.08 -103.38 4 3 2 47 153.229 3 ↓
Hi High (pH 8-9.5) -0.27 4.25 -6.33 2 3 0 44 151.213 3 ↓
Mid Mid (pH 6-8) -0.27 4.56 -47.16 3 3 1 45 152.221 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-imidazol-1-yl-ethanamine (1S)-1-cyclopropyl-2-imidazol-1-…

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) -0.27 4.66 -106.61 4 3 2 47 153.229 3 ↓
Hi High (pH 8-9.5) -0.27 3.83 -5.84 2 3 0 44 151.213 3 ↓
Mid Mid (pH 6-8) -0.27 4.14 -46.47 3 3 1 45 152.221 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropyl-2-imidazol-1-yl-ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-imidazol…

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) 1.51 7.86 -102.5 3 3 2 36 195.31 6 ↓
Mid Mid (pH 6-8) 1.51 7.35 -41.52 2 3 1 34 194.302 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropyl-2-imidazol-1-yl-ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-imidazol…

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) 1.51 8.13 -99.33 3 3 2 36 195.31 6 ↓
Mid Mid (pH 6-8) 1.51 7.61 -41.89 2 3 1 34 194.302 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-methyl-2-(2-methylimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-N-methyl-2-(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) 0.72 6.32 -95.15 3 3 2 36 181.283 4 ↓
Hi High (pH 8-9.5) 0.72 5.85 -41.05 2 3 1 34 180.275 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-methyl-2-(2-methylimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-N-methyl-2-(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) 0.72 6.19 -94.6 3 3 2 36 181.283 4 ↓
Hi High (pH 8-9.5) 0.72 5.72 -42.29 2 3 1 34 180.275 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(2-methylimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-N-ethyl-2-(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) 1.10 7.13 -93.91 3 3 2 36 195.31 5 ↓
Hi High (pH 8-9.5) 1.10 6.61 -39.61 2 3 1 34 194.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(2-methylimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-N-ethyl-2-(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) 1.10 7.01 -93.55 3 3 2 36 195.31 5 ↓
Hi High (pH 8-9.5) 1.10 6.69 -41.33 2 3 1 34 194.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2-methylimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-2-(2-methylim…

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 4.64 -100.61 4 3 2 47 167.256 3 ↓
Hi High (pH 8-9.5) -0.18 4.16 -45.75 3 3 1 45 166.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(2-methylimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-2-(2-methylim…

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 4.9 -99.95 4 3 2 47 167.256 3 ↓
Hi High (pH 8-9.5) -0.18 4.43 -47.26 3 3 1 45 166.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(2-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 7.84 -95.94 3 3 2 36 209.337 6 ↓
Hi High (pH 8-9.5) 1.60 7.36 -40.19 2 3 1 34 208.329 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(2-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 7.92 -95.77 3 3 2 36 209.337 6 ↓
Hi High (pH 8-9.5) 1.60 7.44 -41.99 2 3 1 34 208.329 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2-isopropylimidazol-1-yl)-N-methyl-ethanamine (1R)-1-cyclopropyl-2-(2-isopropy…

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) 1.78 7.36 -94.71 3 3 2 36 209.337 5 ↓
Hi High (pH 8-9.5) 1.78 6.81 -40.82 2 3 1 34 208.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(2-isopropylimidazol-1-yl)-N-methyl-ethanamine (1S)-1-cyclopropyl-2-(2-isopropy…

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) 1.78 7.24 -94.63 3 3 2 36 209.337 5 ↓
Hi High (pH 8-9.5) 1.78 6.77 -42.32 2 3 1 34 208.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(2-isopropylimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-N-ethyl-2-(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) 2.16 8.25 -94.03 3 3 2 36 223.364 6 ↓
Hi High (pH 8-9.5) 2.16 7.61 -39.2 2 3 1 34 222.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(2-isopropylimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-N-ethyl-2-(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) 2.16 8.05 -93.45 3 3 2 36 223.364 6 ↓
Hi High (pH 8-9.5) 2.16 7.58 -40.68 2 3 1 34 222.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2-isopropylimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-2-(2-isopropy…

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 5.87 -100.19 4 3 2 47 195.31 4 ↓
Hi High (pH 8-9.5) 0.87 5.32 -47.04 3 3 1 45 194.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(2-isopropylimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-2-(2-isopropy…

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 5.94 -100.18 4 3 2 47 195.31 4 ↓
Hi High (pH 8-9.5) 0.87 5.47 -47.38 3 3 1 45 194.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2-ethylimidazol-1-yl)-N-methyl-ethanamine (1R)-1-cyclopropyl-2-(2-ethylimi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.30 6.79 -94.93 3 3 2 36 195.31 5 ↓
Hi High (pH 8-9.5) 1.30 6.38 -49.39 2 3 1 34 194.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(2-ethylimidazol-1-yl)-N-methyl-ethanamine (1S)-1-cyclopropyl-2-(2-ethylimi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.30 6.67 -94.23 3 3 2 36 195.31 5 ↓
Hi High (pH 8-9.5) 1.30 6.33 -42.45 2 3 1 34 194.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(2-ethylimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-N-ethyl-2-(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) 1.67 7.63 -94.33 3 3 2 36 209.337 6 ↓
Hi High (pH 8-9.5) 1.67 7.19 -39.49 2 3 1 34 208.329 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(2-ethylimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-N-ethyl-2-(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) 1.67 7.49 -92.98 3 3 2 36 209.337 6 ↓
Hi High (pH 8-9.5) 1.67 7.31 -41.47 2 3 1 34 208.329 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2-ethylimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-2-(2-ethylimi…

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 5.28 -100.31 4 3 2 47 181.283 4 ↓
Hi High (pH 8-9.5) 0.39 4.74 -45.78 3 3 1 45 180.275 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(2-ethylimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-2-(2-ethylimi…

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 5.37 -99.73 4 3 2 47 181.283 4 ↓
Hi High (pH 8-9.5) 0.39 5.02 -47.5 3 3 1 45 180.275 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropyl-2-(2-ethylimidazol-1-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(2-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) 2.17 8.34 -96.14 3 3 2 36 223.364 7 ↓
Hi High (pH 8-9.5) 2.17 7.95 -40.07 2 3 1 34 222.356 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropyl-2-(2-ethylimidazol-1-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(2-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) 2.17 8.4 -95.26 3 3 2 36 223.364 7 ↓
Hi High (pH 8-9.5) 2.17 8.06 -42.21 2 3 1 34 222.356 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-methyl-ethanamine (1R)-1-cyclopropyl-2-(4,5-dimeth…

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 7.41 -95.02 3 3 2 36 195.31 4 ↓
Hi High (pH 8-9.5) 1.08 6.79 -41.95 2 3 1 34 194.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-methyl-ethanamine (1S)-1-cyclopropyl-2-(4,5-dimeth…

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 7.18 -99.74 3 3 2 36 195.31 4 ↓
Hi High (pH 8-9.5) 1.08 6.71 -41.49 2 3 1 34 194.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethyl-ethanamine (1R)-1-cyclopropyl-2-(4,5-dimeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.46 8.58 -93.18 3 3 2 36 209.337 5 ↓
Hi High (pH 8-9.5) 1.46 8.12 -39.87 2 3 1 34 208.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethyl-ethanamine (1S)-1-cyclopropyl-2-(4,5-dimeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.46 8.04 -98.36 3 3 2 36 209.337 5 ↓
Hi High (pH 8-9.5) 1.46 7.57 -40.02 2 3 1 34 208.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-2-(4,5-dimeth…

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 5.99 -99.91 4 3 2 47 181.283 3 ↓
Hi High (pH 8-9.5) 0.17 5.53 -46.94 3 3 1 45 180.275 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-2-(4,5-dimeth…

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 5.91 -105.52 4 3 2 47 181.283 3 ↓
Hi High (pH 8-9.5) 0.17 5.44 -46.42 3 3 1 45 180.275 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(4,5-dim…

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 9.3 -95.22 3 3 2 36 223.364 6 ↓
Hi High (pH 8-9.5) 1.96 8.84 -40.67 2 3 1 34 222.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(4,5-dim…

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 8.97 -101.06 3 3 2 36 223.364 6 ↓
Hi High (pH 8-9.5) 1.96 8.51 -41.43 2 3 1 34 222.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-3-(2-isopropylimidazol-1-yl)propanenitrile (2R)-2-amino-2-cyclopropyl-3-(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) 1.26 5.58 -30.82 3 4 1 69 219.312 4 ↓
Mid Mid (pH 6-8) 1.26 5.53 -12.52 2 4 0 68 218.304 4 ↓
Lo Low (pH 4.5-6) 1.26 6.05 -105.91 4 4 2 71 220.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-3-(2-isopropylimidazol-1-yl)propanenitrile (2S)-2-amino-2-cyclopropyl-3-(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) 1.26 5.69 -33.46 3 4 1 69 219.312 4 ↓
Mid Mid (pH 6-8) 1.26 5.19 -11.03 2 4 0 68 218.304 4 ↓
Lo Low (pH 4.5-6) 1.26 5.99 -107.34 4 4 2 71 220.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-imidazol-1-yl-2-(isopropylamino)propanenitrile (2S)-2-cyclopropyl-3-imidazol-1-…

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) 1.17 6.53 -36.66 2 4 1 55 219.312 5 ↓
Mid Mid (pH 6-8) 1.17 6 -8.76 1 4 0 54 218.304 5 ↓
Lo Low (pH 4.5-6) 1.17 6.28 -108.9 3 4 2 59 220.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-imidazol-1-yl-2-(isopropylamino)propanenitrile (2R)-2-cyclopropyl-3-imidazol-1-…

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) 1.17 6.21 -37.36 2 4 1 55 219.312 5 ↓
Mid Mid (pH 6-8) 1.17 5.71 -13.35 1 4 0 54 218.304 5 ↓
Lo Low (pH 4.5-6) 1.17 7.18 -110.86 3 4 2 59 220.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanenitrile (2S)-2-cyclopropyl-3-imidazol-1-…

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 6.75 -37.25 2 4 1 55 219.312 6 ↓
Mid Mid (pH 6-8) 1.37 6.24 -9.21 1 4 0 54 218.304 6 ↓
Lo Low (pH 4.5-6) 1.37 7.74 -107.04 3 4 2 59 220.32 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanenitrile (2R)-2-cyclopropyl-3-imidazol-1-…

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 6.25 -37.24 2 4 1 55 219.312 6 ↓
Mid Mid (pH 6-8) 1.37 5.75 -13.44 1 4 0 54 218.304 6 ↓
Lo Low (pH 4.5-6) 1.37 7.61 -113.26 3 4 2 59 220.32 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-imidazol-1-yl-propanenitrile (2S)-2-cyclopropyl-2-(ethylamino…

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 6 -37.05 2 4 1 55 205.285 5 ↓
Mid Mid (pH 6-8) 0.87 5.49 -9.28 1 4 0 54 204.277 5 ↓
Lo Low (pH 4.5-6) 0.87 6.97 -105.07 3 4 2 59 206.293 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-imidazol-1-yl-propanenitrile (2R)-2-cyclopropyl-2-(ethylamino…

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 5.49 -37.08 2 4 1 55 205.285 5 ↓
Mid Mid (pH 6-8) 0.87 4.98 -13.4 1 4 0 54 204.277 5 ↓
Lo Low (pH 4.5-6) 0.87 6.85 -111.19 3 4 2 59 206.293 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-imidazol-1-…

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) 0.49 4.87 -34.7 2 4 1 55 191.258 4 ↓
Mid Mid (pH 6-8) 0.49 4.36 -13.75 1 4 0 54 190.25 4 ↓
Lo Low (pH 4.5-6) 0.49 6.06 -107.19 3 4 2 59 192.266 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanenitrile (2R)-2-cyclopropyl-3-imidazol-1-…

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) 0.49 4.78 -36.56 2 4 1 55 191.258 4 ↓
Mid Mid (pH 6-8) 0.49 4.27 -11.4 1 4 0 54 190.25 4 ↓
Lo Low (pH 4.5-6) 0.49 5.8 -113.42 3 4 2 59 192.266 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-3-imidazol-1-yl-propanenitrile (2R)-2-amino-2-cyclopropyl-3-imi…

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) 0.12 3.82 -13.61 2 4 0 68 176.223 3 ↓
Mid Mid (pH 6-8) 0.12 4.34 -34.59 3 4 1 69 177.231 3 ↓
Lo Low (pH 4.5-6) 0.12 4.68 -112.73 4 4 2 71 178.239 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-3-imidazol-1-yl-propanenitrile (2S)-2-amino-2-cyclopropyl-3-imi…

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) 0.12 4.13 -11.7 2 4 0 68 176.223 3 ↓
Mid Mid (pH 6-8) 0.12 4.64 -40.68 3 4 1 69 177.231 3 ↓
Lo Low (pH 4.5-6) 0.12 4.89 -119.34 4 4 2 71 178.239 3 ↓

Parameters Provided:

ring.id = 245857
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 = 245857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=245857&filter.purchasability=annotated

Embed Link to Results