Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_o8lkr04t5jm2ju76ce95t1ll05, 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-[2-[3-(trifluoromethoxy)phenyl]ethyl]cyclopropanamine N-[2-[3-(trifluoromethoxy)phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 6.55 -41.6 2 2 1 26 246.252 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N'-(3-methoxypropyl)-N',2-dimethyl-2-phenyl-propane-1,3-diamine (2R)-N-cyclopropyl-N'-(3-methoxy…

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) 2.97 7.46 -35.49 2 3 1 29 291.459 10 ↓
Mid Mid (pH 6-8) 2.97 9.18 -101.88 3 3 2 30 292.467 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N'-(3-methoxypropyl)-N',2-dimethyl-2-phenyl-propane-1,3-diamine (2S)-N-cyclopropyl-N'-(3-methoxy…

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) 2.97 7.47 -36.25 2 3 1 29 291.459 10 ↓
Mid Mid (pH 6-8) 2.97 9.16 -102.77 3 3 2 30 292.467 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-cyclopropyl-N-(3-methoxypropyl)-N-methyl-1-phenyl-ethane-1,2-diamine (1R)-N'-cyclopropyl-N-(3-methoxy…

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) 2.33 6.18 -37.03 2 3 1 29 263.405 9 ↓
Hi High (pH 8-9.5) 2.33 6.2 -2.82 1 3 0 24 262.397 9 ↓
Lo Low (pH 4.5-6) 2.33 8.27 -113.72 3 3 2 30 264.413 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-cyclopropyl-N-(3-methoxypropyl)-N-methyl-1-phenyl-ethane-1,2-diamine (1S)-N'-cyclopropyl-N-(3-methoxy…

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) 2.33 6.3 -36.05 2 3 1 29 263.405 9 ↓
Hi High (pH 8-9.5) 2.33 5.19 -3.01 1 3 0 24 262.397 9 ↓
Lo Low (pH 4.5-6) 2.33 8.28 -113.23 3 3 2 30 264.413 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(cyclopropylamino)-1-(2,4,5-trimethylphenyl)ethanol (1S)-2-(cyclopropylamino)-1-(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) 2.48 5.45 -37.8 3 2 1 37 220.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(cyclopropylamino)-1-(2,4,5-trimethylphenyl)ethanol (1R)-2-(cyclopropylamino)-1-(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) 2.48 5.42 -37.8 3 2 1 37 220.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N1-ethyl-2-phenyl-propane-1,2-diamine (2R)-N1-cyclopropyl-N1-ethyl-2-p…

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) 2.52 6.73 -29.47 3 2 1 30 219.352 5 ↓
Hi High (pH 8-9.5) 2.52 5.63 -1.72 2 2 0 29 218.344 5 ↓
Lo Low (pH 4.5-6) 2.52 6.94 -112.19 4 2 2 32 220.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N1-ethyl-2-phenyl-propane-1,2-diamine (2S)-N1-cyclopropyl-N1-ethyl-2-p…

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) 2.52 6.56 -29.6 3 2 1 30 219.352 5 ↓
Hi High (pH 8-9.5) 2.52 5.39 -1.41 2 2 0 29 218.344 5 ↓
Lo Low (pH 4.5-6) 2.52 6.9 -113.6 4 2 2 32 220.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N1-methyl-2-phenyl-propane-1,2-diamine (2S)-N1-cyclopropyl-N1-methyl-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) 2.15 6.06 -30.83 3 2 1 30 205.325 4 ↓
Hi High (pH 8-9.5) 2.15 4.13 -1.1 2 2 0 29 204.317 4 ↓
Lo Low (pH 4.5-6) 2.15 6.24 -113.25 4 2 2 32 206.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N1-methyl-2-phenyl-propane-1,2-diamine (2R)-N1-cyclopropyl-N1-methyl-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) 2.15 6.66 -31.71 3 2 1 30 205.325 4 ↓
Hi High (pH 8-9.5) 2.15 4.75 -1.52 2 2 0 29 204.317 4 ↓
Lo Low (pH 4.5-6) 2.15 6.67 -111.31 4 2 2 32 206.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-2-phenyl-N1-propyl-propane-1,2-diamine (2R)-N1-cyclopropyl-2-phenyl-N1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 8 -32.98 3 2 1 30 233.379 6 ↓
Hi High (pH 8-9.5) 3.03 6.48 -1.59 2 2 0 29 232.371 6 ↓
Lo Low (pH 4.5-6) 3.03 8.23 -116.42 4 2 2 32 234.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-2-phenyl-N1-propyl-propane-1,2-diamine (2S)-N1-cyclopropyl-2-phenyl-N1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 8.03 -29.59 3 2 1 30 233.379 6 ↓
Hi High (pH 8-9.5) 3.03 6.13 -1.29 2 2 0 29 232.371 6 ↓
Lo Low (pH 4.5-6) 3.03 7.55 -117.76 4 2 2 32 234.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-2-phenyl-propane-1,2-diamine (2S)-N1-cyclopropyl-2-phenyl-pro…

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) 1.90 4.56 -37.64 4 2 1 43 191.298 4 ↓
Mid Mid (pH 6-8) 1.90 4.79 -122.85 5 2 2 44 192.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-2-phenyl-propane-1,2-diamine (2R)-N1-cyclopropyl-2-phenyl-pro…

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) 1.90 4.45 -33.74 4 2 1 43 191.298 4 ↓
Mid Mid (pH 6-8) 1.90 4.82 -122.9 5 2 2 44 192.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-butyl-N1-cyclopropyl-2-phenyl-propane-1,2-diamine (2R)-N1-butyl-N1-cyclopropyl-2-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 8.78 -33.64 3 2 1 30 247.406 7 ↓
Hi High (pH 8-9.5) 3.58 7.26 -1.6 2 2 0 29 246.398 7 ↓
Mid Mid (pH 6-8) 3.58 9 -118.62 4 2 2 32 248.414 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-butyl-N1-cyclopropyl-2-phenyl-propane-1,2-diamine (2S)-N1-butyl-N1-cyclopropyl-2-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 8.81 -30.12 3 2 1 30 247.406 7 ↓
Hi High (pH 8-9.5) 3.58 6.91 -1.18 2 2 0 29 246.398 7 ↓
Mid Mid (pH 6-8) 3.58 8.33 -119.3 4 2 2 32 248.414 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N1-(2-methoxyethyl)-2-phenyl-propane-1,2-diamine (2S)-N1-cyclopropyl-N1-(2-methox…

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) 2.13 4.56 -40.13 3 3 1 40 249.378 7 ↓
Hi High (pH 8-9.5) 2.13 4.4 -2.84 2 3 0 38 248.37 7 ↓
Mid Mid (pH 6-8) 2.13 6.46 -33.45 3 3 1 40 249.378 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N1-(2-methoxyethyl)-2-phenyl-propane-1,2-diamine (2R)-N1-cyclopropyl-N1-(2-methox…

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) 2.13 4.8 -38.73 3 3 1 40 249.378 7 ↓
Hi High (pH 8-9.5) 2.13 4.66 -2.81 2 3 0 38 248.37 7 ↓
Mid Mid (pH 6-8) 2.13 6.59 -29.05 3 3 1 40 249.378 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N1-isobutyl-2-phenyl-propane-1,2-diamine (2R)-N1-cyclopropyl-N1-isobutyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 8.58 -32.49 3 2 1 30 247.406 6 ↓
Mid Mid (pH 6-8) 3.27 8.88 -115.1 4 2 2 32 248.414 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N1-isobutyl-2-phenyl-propane-1,2-diamine (2S)-N1-cyclopropyl-N1-isobutyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 8.71 -29.26 3 2 1 30 247.406 6 ↓
Mid Mid (pH 6-8) 3.27 8.34 -115.59 4 2 2 32 248.414 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-2-phenyl-N1-(2,2,2-trifluoroethyl)propane-1,2-diamine (2S)-N1-cyclopropyl-2-phenyl-N1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 5.79 -45.47 3 2 1 31 273.322 6 ↓
Hi High (pH 8-9.5) 3.07 5.48 -3.79 2 2 0 29 272.314 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-2-phenyl-N1-(2,2,2-trifluoroethyl)propane-1,2-diamine (2R)-N1-cyclopropyl-2-phenyl-N1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 5.56 -36.4 3 2 1 31 273.322 6 ↓
Hi High (pH 8-9.5) 3.07 6.01 -3.35 2 2 0 29 272.314 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-[(1S)-2,2-dimethylcyclopropyl]-2-phenyl-propane-1,2-diamine (2R)-N1-[(1S)-2,2-dimethylcyclop…

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) 2.47 5.87 -33.61 4 2 1 43 219.352 4 ↓
Lo Low (pH 4.5-6) 2.47 6.25 -125.12 5 2 2 44 220.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-[(1R)-2,2-dimethylcyclopropyl]-2-phenyl-propane-1,2-diamine (2R)-N1-[(1R)-2,2-dimethylcyclop…

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) 2.47 5.87 -33.6 4 2 1 43 219.352 4 ↓
Lo Low (pH 4.5-6) 2.47 6.24 -125.31 5 2 2 44 220.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-[(1S)-2,2-dimethylcyclopropyl]-2-phenyl-propane-1,2-diamine (2S)-N1-[(1S)-2,2-dimethylcyclop…

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) 2.47 5.97 -37.65 4 2 1 43 219.352 4 ↓
Lo Low (pH 4.5-6) 2.47 6.21 -125.05 5 2 2 44 220.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-[(1R)-2,2-dimethylcyclopropyl]-2-phenyl-propane-1,2-diamine (2S)-N1-[(1R)-2,2-dimethylcyclop…

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) 2.47 5.97 -37.61 4 2 1 43 219.352 4 ↓
Lo Low (pH 4.5-6) 2.47 6.21 -124.89 5 2 2 44 220.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-[(1S,2R)-2-methylcyclopropyl]-2-phenyl-propane-1,2-diamine (2R)-N1-[(1S,2R)-2-methylcyclopr…

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) 2.51 5.5 -37.37 4 2 1 43 205.325 4 ↓
Lo Low (pH 4.5-6) 2.51 5.75 -123.63 5 2 2 44 206.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-propane-1,2-diamine (2R)-N1-[(1S,2S)-2-methylcyclopr…

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) 2.51 5.25 -38.08 4 2 1 43 205.325 4 ↓
Lo Low (pH 4.5-6) 2.51 5.5 -124.64 5 2 2 44 206.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-[(1R,2R)-2-methylcyclopropyl]-2-phenyl-propane-1,2-diamine (2R)-N1-[(1R,2R)-2-methylcyclopr…

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) 2.51 5.25 -38.11 4 2 1 43 205.325 4 ↓
Lo Low (pH 4.5-6) 2.51 5.5 -124.79 5 2 2 44 206.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-[(1R,2S)-2-methylcyclopropyl]-2-phenyl-propane-1,2-diamine (2R)-N1-[(1R,2S)-2-methylcyclopr…

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) 2.51 5.49 -37.47 4 2 1 43 205.325 4 ↓
Lo Low (pH 4.5-6) 2.51 5.74 -123.57 5 2 2 44 206.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(cyclopropylamino)-1-(4-propylphenyl)propan-1-ol (1S,2R)-2-(cyclopropylamino)-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) 2.91 6.32 -35.11 3 2 1 37 234.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(cyclopropylamino)-1-(4-propylphenyl)propan-1-ol (1R,2R)-2-(cyclopropylamino)-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) 2.91 6.81 -33.62 3 2 1 37 234.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(cyclopropylamino)-1-(4-propylphenyl)propan-1-ol (1S,2S)-2-(cyclopropylamino)-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) 2.91 6.85 -34.11 3 2 1 37 234.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(cyclopropylamino)-1-(4-propylphenyl)propan-1-ol (1R,2S)-2-(cyclopropylamino)-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) 2.91 6.36 -35.24 3 2 1 37 234.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-ol (1S,2R)-2-(cyclopropylamino)-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) 2.04 4.32 -37.86 3 3 1 46 236.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-ol (1R,2R)-2-(cyclopropylamino)-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) 2.04 4.82 -35.85 3 3 1 46 236.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-ol (1S,2S)-2-(cyclopropylamino)-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) 2.04 4.87 -35.78 3 3 1 46 236.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-ol (1R,2S)-2-(cyclopropylamino)-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) 2.04 4.37 -38.17 3 3 1 46 236.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(cyclopropylamino)-1-(3-ethyl-4-methoxy-phenyl)ethanol (1S)-2-(cyclopropylamino)-1-(3-e…

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 4.44 -39.97 3 3 1 46 236.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(cyclopropylamino)-1-(3-ethyl-4-methoxy-phenyl)ethanol (1R)-2-(cyclopropylamino)-1-(3-e…

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 4.5 -39.9 3 3 1 46 236.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(cyclopropylamino)-1-(5-ethyl-2-methoxy-phenyl)ethanol (1S)-2-(cyclopropylamino)-1-(5-e…

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 4.49 -34.82 3 3 1 46 236.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(cyclopropylamino)-1-(5-ethyl-2-methoxy-phenyl)ethanol (1R)-2-(cyclopropylamino)-1-(5-e…

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 4.53 -34.72 3 3 1 46 236.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(cyclopropylamino)-1-(4-ethoxy-3-methyl-phenyl)ethanol (1S)-2-(cyclopropylamino)-1-(4-e…

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) 2.09 4.62 -39.96 3 3 1 46 236.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(cyclopropylamino)-1-(4-ethoxy-3-methyl-phenyl)ethanol (1R)-2-(cyclopropylamino)-1-(4-e…

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) 2.09 4.68 -39.94 3 3 1 46 236.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(cyclopropylamino)-1-(4-ethoxy-3-fluoro-phenyl)ethanol (1S)-2-(cyclopropylamino)-1-(4-e…

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) 1.80 3.95 -44.2 3 3 1 46 240.298 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(cyclopropylamino)-1-(4-ethoxy-3-fluoro-phenyl)ethanol (1R)-2-(cyclopropylamino)-1-(4-e…

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) 1.80 4.02 -44.38 3 3 1 46 240.298 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-ethyl-4-methoxy-phenyl)-2-methyl-propyl]cyclopropanamine N-[2-(3-ethyl-4-methoxy-phenyl)-…

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) 4.14 8.48 -39.31 2 2 1 26 248.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(5-ethyl-2-methoxy-phenyl)-2-methyl-propyl]cyclopropanamine N-[2-(5-ethyl-2-methoxy-phenyl)-…

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) 4.14 8.8 -36.79 2 2 1 26 248.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(cyclopropylamino)-1-(4-isobutylphenyl)propan-1-ol (1S,2R)-2-(cyclopropylamino)-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) 2.91 6.79 -34.96 3 2 1 37 248.39 6 ↓

Parameters Provided:

ring.id = 8578
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 = 8578 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=8578&filter.purchasability=annotated

Embed Link to Results