Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_n127h6eh9iah4aidg8okmcr7l1, 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: (3R)-1-(6-chloropyrazin-2-yl)pyrrolidine-3-carboxamide (3R)-1-(6-chloropyrazin-2-yl)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) 0.49 0.71 -10.69 2 5 0 72 226.667 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(pyrazin-2-yl)pyrrolidin-3-yl)methanamine hydrochloride (1-(pyrazin-2-yl)pyrrolidin-3-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) -0.24 1.59 -53.54 3 4 1 57 179.247 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(pyrazin-2-yl)pyrrolidin-3-yl)methanamine hydrochloride (1-(pyrazin-2-yl)pyrrolidin-3-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) -0.24 1.62 -53.29 3 4 1 57 179.247 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(pyrazin-2-yl)pyrrolidin-2-yl)methanamine hydrochloride (1-(pyrazin-2-yl)pyrrolidin-2-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) -0.35 1.45 -50.71 3 4 1 57 179.247 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(pyrazin-2-yl)pyrrolidin-2-yl)methanamine hydrochloride (1-(pyrazin-2-yl)pyrrolidin-2-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) -0.35 1.44 -50.73 3 4 1 57 179.247 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]methanamine [(2R)-1-(3,6-dimethylpyrazin-2-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) 0.10 3.69 -34.49 3 4 1 57 207.301 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]methanamine [(2S)-1-(3,6-dimethylpyrazin-2-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) 0.10 3.48 -34.64 3 4 1 57 207.301 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-carbamoylpyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(3-carbamoylpyrazin-2-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) -0.49 2.17 -58.28 2 7 -1 112 249.25 3 ↓
Mid Mid (pH 6-8) -0.49 1.78 -44.83 3 7 0 113 250.258 3 ↓
Mid Mid (pH 6-8) -0.49 2.66 -73.92 3 7 0 113 250.258 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-carbamoylpyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(3-carbamoylpyrazin-2-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) -0.49 2.24 -56.31 2 7 -1 112 249.25 3 ↓
Mid Mid (pH 6-8) -0.49 2.13 -113.57 4 7 1 115 251.266 3 ↓
Mid Mid (pH 6-8) -0.49 2.72 -72.7 3 7 0 113 250.258 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-cyanopyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(3-cyanopyrazin-2-yl)-3-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) 0.44 4.57 -54.62 0 6 -1 93 231.235 2 ↓
Mid Mid (pH 6-8) 0.44 5.47 -47.04 1 6 0 94 232.243 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-cyanopyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(3-cyanopyrazin-2-yl)-3-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) 0.44 4.58 -46.28 0 6 -1 93 231.235 2 ↓
Mid Mid (pH 6-8) 0.44 5.48 -44.97 1 6 0 94 232.243 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-pyrazin-2-yl-pyrrolidine-3-carboxylic (3S)-3-methyl-1-pyrazin-2-yl-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) 0.45 4.58 -48.72 0 5 -1 69 206.225 2 ↓
Mid Mid (pH 6-8) 0.45 5.55 -97.05 2 5 1 72 208.241 2 ↓
Mid Mid (pH 6-8) 0.45 4.69 -43.92 1 5 0 70 207.233 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-pyrazin-2-yl-pyrrolidine-3-carboxylic (3R)-3-methyl-1-pyrazin-2-yl-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) 0.45 4.65 -47.11 0 5 -1 69 206.225 2 ↓
Mid Mid (pH 6-8) 0.45 4.64 -44.1 1 5 0 70 207.233 2 ↓
Mid Mid (pH 6-8) 0.45 5.02 -54.96 1 5 0 70 207.233 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-carbamoylpyrazin-2-yl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(3-carbamoylpyrazin-2-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) -0.16 2.66 -57.47 2 7 -1 112 263.277 4 ↓
Mid Mid (pH 6-8) -0.16 2.29 -40.65 3 7 0 113 264.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-carbamoylpyrazin-2-yl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(3-carbamoylpyrazin-2-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) -0.16 2.76 -55.32 2 7 -1 112 263.277 4 ↓
Mid Mid (pH 6-8) -0.16 2.25 -47.56 3 7 0 113 264.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-cyanopyrazin-2-yl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(3-cyanopyrazin-2-yl)-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) 0.78 5.05 -53.86 0 6 -1 93 245.262 3 ↓
Mid Mid (pH 6-8) 0.78 6 -45.09 1 6 0 94 246.27 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-cyanopyrazin-2-yl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(3-cyanopyrazin-2-yl)-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) 0.78 5.15 -51.86 0 6 -1 93 245.262 3 ↓
Mid Mid (pH 6-8) 0.78 5.95 -43.73 1 6 0 94 246.27 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-pyrazin-2-yl-pyrrolidine-3-carboxylic (3S)-3-ethyl-1-pyrazin-2-yl-pyrr…

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 5.06 -47.89 0 5 -1 69 220.252 3 ↓
Mid Mid (pH 6-8) 0.78 5.2 -41.5 1 5 0 70 221.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-pyrazin-2-yl-pyrrolidine-3-carboxylic (3R)-3-ethyl-1-pyrazin-2-yl-pyrr…

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 5.16 -47.6 0 5 -1 69 220.252 3 ↓
Mid Mid (pH 6-8) 0.78 5.14 -43.08 1 5 0 70 221.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-carbamoylpyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(3-carbamoylpyrazin-2-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) 0.40 3.43 -57.94 2 7 -1 112 277.304 5 ↓
Mid Mid (pH 6-8) 0.40 3.05 -40.66 3 7 0 113 278.312 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-carbamoylpyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(3-carbamoylpyrazin-2-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) 0.40 3.53 -55.77 2 7 -1 112 277.304 5 ↓
Mid Mid (pH 6-8) 0.40 3.01 -43.34 3 7 0 113 278.312 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-cyanopyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(3-cyanopyrazin-2-yl)-3-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) 1.34 5.82 -54.32 0 6 -1 93 259.289 4 ↓
Mid Mid (pH 6-8) 1.34 6.81 -42.43 1 6 0 94 260.297 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-cyanopyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(3-cyanopyrazin-2-yl)-3-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) 1.34 5.91 -52.22 0 6 -1 93 259.289 4 ↓
Mid Mid (pH 6-8) 1.34 6.71 -43.71 1 6 0 94 260.297 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-pyrazin-2-yl-pyrrolidine-3-carboxylic (3S)-3-propyl-1-pyrazin-2-yl-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) 1.34 5.83 -48.26 0 5 -1 69 234.279 4 ↓
Mid Mid (pH 6-8) 1.34 5.99 -41.73 1 5 0 70 235.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-pyrazin-2-yl-pyrrolidine-3-carboxylic (3R)-3-propyl-1-pyrazin-2-yl-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) 1.34 5.92 -47.9 0 5 -1 69 234.279 4 ↓
Mid Mid (pH 6-8) 1.34 5.89 -43.15 1 5 0 70 235.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[3-(aminomethyl)pyrazin-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) 0.03 3.1 -106.97 4 5 2 61 223.324 3 ↓
Hi High (pH 8-9.5) 0.03 0.29 -5.92 2 5 0 58 221.308 3 ↓
Mid Mid (pH 6-8) 0.03 0.71 -45.71 3 5 1 60 222.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-(aminomethyl)pyrazin-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) 0.03 3.1 -98.84 4 5 2 61 223.324 3 ↓
Hi High (pH 8-9.5) 0.03 0.39 -6.07 2 5 0 58 221.308 3 ↓
Mid Mid (pH 6-8) 0.03 0.72 -45.81 3 5 1 60 222.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxamidine 3-[(3R)-3-(dimethylamino)pyrroli…

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 1.74 -87.39 5 6 2 85 236.323 3 ↓
Hi High (pH 8-9.5) -0.77 1.39 -6.61 3 6 0 82 234.307 3 ↓
Mid Mid (pH 6-8) -0.77 3.79 -35.81 4 6 1 83 235.315 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxamidine 3-[(3S)-3-(dimethylamino)pyrroli…

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 3.06 -87.22 5 6 2 85 236.323 3 ↓
Hi High (pH 8-9.5) -0.77 1.39 -6.81 3 6 0 82 234.307 3 ↓
Mid Mid (pH 6-8) -0.77 3.78 -35.57 4 6 1 83 235.315 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-(aminomethyl)pyrazin-2-yl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[3-(aminomethyl)pyrazin-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) 0.78 4.29 -106.68 4 5 2 61 251.378 5 ↓
Hi High (pH 8-9.5) 0.78 1.72 -5.46 2 5 0 58 249.362 5 ↓
Mid Mid (pH 6-8) 0.78 2.15 -44.92 3 5 1 60 250.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[3-(aminomethyl)pyrazin-2-yl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[3-(aminomethyl)pyrazin-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) 0.78 4.27 -97.43 4 5 2 61 251.378 5 ↓
Hi High (pH 8-9.5) 0.78 1.61 -5.73 2 5 0 58 249.362 5 ↓
Mid Mid (pH 6-8) 0.78 2 -45.79 3 5 1 60 250.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboxamidine 3-[(3R)-3-(diethylamino)pyrrolid…

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) -0.02 2.78 -86.5 5 6 2 85 264.377 5 ↓
Hi High (pH 8-9.5) -0.02 2.82 -6 3 6 0 82 262.361 5 ↓
Mid Mid (pH 6-8) -0.02 4.85 -33.32 4 6 1 83 263.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboxamidine 3-[(3S)-3-(diethylamino)pyrrolid…

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) -0.02 4.11 -86.19 5 6 2 85 264.377 5 ↓
Hi High (pH 8-9.5) -0.02 2.69 -6.48 3 6 0 82 262.361 5 ↓
Mid Mid (pH 6-8) -0.02 4.82 -33.07 4 6 1 83 263.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-chloropyrazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(6-chloropyrazin-2-yl)-N,…

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) 1.41 5.16 -40.67 1 4 1 33 227.719 2 ↓
Mid Mid (pH 6-8) 1.41 2.76 -5.15 0 4 0 32 226.711 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-chloropyrazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(6-chloropyrazin-2-yl)-N,…

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) 1.41 5.14 -40.64 1 4 1 33 227.719 2 ↓
Mid Mid (pH 6-8) 1.41 2.76 -5.52 0 4 0 32 226.711 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-chloropyrazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(3-chloropyrazin-2-yl)-N,…

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) 1.41 4.92 -41.04 1 4 1 33 227.719 2 ↓
Mid Mid (pH 6-8) 1.41 2.5 -5.94 0 4 0 32 226.711 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-chloropyrazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(3-chloropyrazin-2-yl)-N,…

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) 1.41 4.94 -40.21 1 4 1 33 227.719 2 ↓
Mid Mid (pH 6-8) 1.41 2.57 -6.23 0 4 0 32 226.711 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-chloropyrazin-2-yl)-N,N-diethyl-pyrrolidin-3-amine (3R)-1-(6-chloropyrazin-2-yl)-N,…

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 6.21 -38.51 1 4 1 33 255.773 4 ↓
Mid Mid (pH 6-8) 2.16 4.19 -4.78 0 4 0 32 254.765 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-chloropyrazin-2-yl)-N,N-diethyl-pyrrolidin-3-amine (3S)-1-(6-chloropyrazin-2-yl)-N,…

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 6.18 -38.36 1 4 1 33 255.773 4 ↓
Mid Mid (pH 6-8) 2.16 4.03 -5.29 0 4 0 32 254.765 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-chloropyrazin-2-yl)-N,N-diethyl-pyrrolidin-3-amine (3R)-1-(3-chloropyrazin-2-yl)-N,…

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 5.95 -38.73 1 4 1 33 255.773 4 ↓
Mid Mid (pH 6-8) 2.16 3.94 -5.45 0 4 0 32 254.765 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-chloropyrazin-2-yl)-N,N-diethyl-pyrrolidin-3-amine (3S)-1-(3-chloropyrazin-2-yl)-N,…

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 5.97 -37.7 1 4 1 33 255.773 4 ↓
Mid Mid (pH 6-8) 2.16 3.82 -5.92 0 4 0 32 254.765 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylic 3-[(3R)-3-(dimethylamino)pyrroli…

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) 0.42 5.93 -60.34 1 6 0 74 236.275 3 ↓
Mid Mid (pH 6-8) 0.42 3.54 -54.11 0 6 -1 72 235.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylic 3-[(3S)-3-(dimethylamino)pyrroli…

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) 0.42 5.93 -61.93 1 6 0 74 236.275 3 ↓
Mid Mid (pH 6-8) 0.42 3.54 -53.01 0 6 -1 72 235.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylic 3-[(3R)-3-(diethylamino)pyrrolid…

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 6.94 -56.98 1 6 0 74 264.329 5 ↓
Mid Mid (pH 6-8) 1.17 4.95 -52.96 0 6 -1 72 263.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylic 3-[(3S)-3-(diethylamino)pyrrolid…

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 6.96 -59.21 1 6 0 74 264.329 5 ↓
Mid Mid (pH 6-8) 1.17 4.83 -53.29 0 6 -1 72 263.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1-Pyrrolidinyl)-2-pyrazinecarboxylic acid 5-(1-Pyrrolidinyl)-2-pyrazinecar…

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) 0.67 4.19 -51.65 0 5 -1 69 192.198 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl 5-(1-pyrrolidinyl)-2-pyrazinecarboxylate Methyl 5-(1-pyrrolidinyl)-2-pyra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.93 4.23 -8.05 0 5 0 55 207.233 3 ↓

Analogs

42434684
42434684

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(pyrazin-2-yl)pyrrolidin-2-yl)methanol (1-(pyrazin-2-yl)pyrrolidin-2-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) 0.22 0.93 -7.61 1 4 0 49 179.223 2 ↓

Analogs

42434683
42434683

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(pyrazin-2-yl)pyrrolidin-2-yl)methanol (1-(pyrazin-2-yl)pyrrolidin-2-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) 0.22 0.92 -7.69 1 4 0 49 179.223 2 ↓

Parameters Provided:

ring.id = 84851
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 = 84851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=84851&filter.purchasability=annotated

Embed Link to Results