Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_d7im5875ae69j6s0ikkgv68p05, 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: (4R,5R)-4-amino-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-methyl-5-(1-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) -1.38 1.34 -57.9 3 5 1 66 195.246 1 ↓
Hi High (pH 8-9.5) -1.38 1.05 -10.85 2 5 0 64 194.238 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-methyl-5-(1-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) -1.38 0.76 -63.03 3 5 1 66 195.246 1 ↓
Hi High (pH 8-9.5) -1.38 0.47 -10.89 2 5 0 64 194.238 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-methyl-5-(1-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) -1.38 1.21 -61.36 3 5 1 66 195.246 1 ↓
Hi High (pH 8-9.5) -1.38 0.92 -13.01 2 5 0 64 194.238 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-methyl-5-(1-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) -1.38 0.88 -51.94 3 5 1 66 195.246 1 ↓
Hi High (pH 8-9.5) -1.38 0.65 -12.32 2 5 0 64 194.238 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-methyl-5-(1,3,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.94 2.08 -56.02 3 5 1 66 223.3 1 ↓
Hi High (pH 8-9.5) -0.94 1.79 -10.58 2 5 0 64 222.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-methyl-5-(trimethyl-1H-pyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-methyl-5-(trim…

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) -0.94 2.16 -62.39 3 5 1 66 223.3 1 ↓
Hi High (pH 8-9.5) -0.94 1.87 -10.81 2 5 0 64 222.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-methyl-5-(1,3,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.94 1.98 -60.81 3 5 1 66 223.3 1 ↓
Hi High (pH 8-9.5) -0.94 1.69 -12.52 2 5 0 64 222.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-methyl-5-(1,3,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.94 2.65 -50.66 3 5 1 66 223.3 1 ↓
Hi High (pH 8-9.5) -0.94 2.43 -11.77 2 5 0 64 222.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(1-met…

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 2.31 -57.43 3 5 1 66 209.273 2 ↓
Hi High (pH 8-9.5) -1.01 2.01 -10.48 2 5 0 64 208.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(1-met…

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 1.75 -62.1 3 5 1 66 209.273 2 ↓
Hi High (pH 8-9.5) -1.01 1.47 -10.83 2 5 0 64 208.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(1-met…

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 2.19 -60.93 3 5 1 66 209.273 2 ↓
Hi High (pH 8-9.5) -1.01 1.9 -12.75 2 5 0 64 208.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(1-met…

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 1.87 -52 3 5 1 66 209.273 2 ↓
Hi High (pH 8-9.5) -1.01 1.64 -12.22 2 5 0 64 208.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-5-(1-methylpyrazol-4-yl)-1-propyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(1-methylpyraz…

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) -0.50 3.07 -57.68 3 5 1 66 223.3 3 ↓
Hi High (pH 8-9.5) -0.50 2.77 -10.37 2 5 0 64 222.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(1-methylpyrazol-4-yl)-1-propyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(1-methylpyraz…

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) -0.50 2.51 -62.36 3 5 1 66 223.3 3 ↓
Hi High (pH 8-9.5) -0.50 2.22 -10.73 2 5 0 64 222.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(1-methylpyrazol-4-yl)-1-propyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(1-methylpyraz…

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) -0.50 2.95 -61.45 3 5 1 66 223.3 3 ↓
Hi High (pH 8-9.5) -0.50 2.65 -12.64 2 5 0 64 222.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(1-methylpyrazol-4-yl)-1-propyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(1-methylpyraz…

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) -0.50 2.62 -52.08 3 5 1 66 223.3 3 ↓
Hi High (pH 8-9.5) -0.50 2.41 -12.12 2 5 0 64 222.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-isopropyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-isopropyl-5-(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) -0.71 2.86 -56.95 3 5 1 66 223.3 2 ↓
Hi High (pH 8-9.5) -0.71 2.57 -9.98 2 5 0 64 222.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isopropyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-isopropyl-5-(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) -0.71 2.15 -62.22 3 5 1 66 223.3 2 ↓
Hi High (pH 8-9.5) -0.71 2.47 -10.35 2 5 0 64 222.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isopropyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-isopropyl-5-(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) -0.71 2.75 -60.93 3 5 1 66 223.3 2 ↓
Hi High (pH 8-9.5) -0.71 2.46 -12.07 2 5 0 64 222.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isopropyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-isopropyl-5-(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) -0.71 2.87 -56.66 3 5 1 66 223.3 2 ↓
Hi High (pH 8-9.5) -0.71 2.03 -11.43 2 5 0 64 222.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(1,3,5…

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 3.16 -56.44 3 5 1 66 237.327 2 ↓
Hi High (pH 8-9.5) -0.56 2.85 -10.03 2 5 0 64 236.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-ethyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(1,3,5…

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 2.67 -61.1 3 5 1 66 237.327 2 ↓
Hi High (pH 8-9.5) -0.56 2.38 -10.71 2 5 0 64 236.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(1,3,5…

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 3.04 -61.24 3 5 1 66 237.327 2 ↓
Hi High (pH 8-9.5) -0.56 2.75 -12.19 2 5 0 64 236.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(1,3,5…

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 3.14 -48.96 3 5 1 66 237.327 2 ↓
Hi High (pH 8-9.5) -0.56 3.12 -11.36 2 5 0 64 236.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-propyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-propyl-5-(1,3,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.06 3.92 -56.66 3 5 1 66 251.354 3 ↓
Hi High (pH 8-9.5) -0.06 3.61 -9.86 2 5 0 64 250.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-propyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-propyl-5-(1,3,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.06 3.38 -61.07 3 5 1 66 251.354 3 ↓
Hi High (pH 8-9.5) -0.06 3.09 -10.56 2 5 0 64 250.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-propyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-propyl-5-(1,3,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.06 3.79 -61.75 3 5 1 66 251.354 3 ↓
Hi High (pH 8-9.5) -0.06 3.51 -12.01 2 5 0 64 250.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-propyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-propyl-5-(1,3,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.06 3.9 -49.15 3 5 1 66 251.354 3 ↓
Hi High (pH 8-9.5) -0.06 3.85 -11.32 2 5 0 64 250.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-isopropyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-isopropyl-5-(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 3.42 -55.01 3 5 1 66 251.354 2 ↓
Hi High (pH 8-9.5) -0.27 3.14 -9.68 2 5 0 64 250.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isopropyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-isopropyl-5-(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 3.59 -57.83 3 5 1 66 251.354 2 ↓
Hi High (pH 8-9.5) -0.27 3.05 -8.19 2 5 0 64 250.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isopropyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-isopropyl-5-(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 3.32 -60.43 3 5 1 66 251.354 2 ↓
Hi High (pH 8-9.5) -0.27 3.04 -11.65 2 5 0 64 250.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isopropyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-isopropyl-5-(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 3.44 -52.67 3 5 1 66 251.354 2 ↓
Hi High (pH 8-9.5) -0.27 3.94 -8.7 2 5 0 64 250.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-tert-butyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-tert-butyl-5-(…

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) -0.20 3.04 -56.41 3 5 1 66 237.327 2 ↓
Hi High (pH 8-9.5) -0.20 2.75 -9.38 2 5 0 64 236.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-tert-butyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-tert-butyl-5-(…

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) -0.20 2.93 -60.34 3 5 1 66 237.327 2 ↓
Hi High (pH 8-9.5) -0.20 1.83 -9.94 2 5 0 64 236.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-tert-butyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-tert-butyl-5-(…

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) -0.20 2.93 -60.34 3 5 1 66 237.327 2 ↓
Hi High (pH 8-9.5) -0.20 2.63 -11.61 2 5 0 64 236.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-tert-butyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-tert-butyl-5-(…

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) -0.20 3.04 -56.21 3 5 1 66 237.327 2 ↓
Hi High (pH 8-9.5) -0.20 2.03 -11.16 2 5 0 64 236.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-tert-butyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-tert-butyl-5-(…

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) 0.25 3.72 -54.63 3 5 1 66 265.381 2 ↓
Hi High (pH 8-9.5) 0.25 3.44 -9.1 2 5 0 64 264.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-tert-butyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-tert-butyl-5-(…

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) 0.25 3.68 -56.79 3 5 1 66 265.381 2 ↓
Hi High (pH 8-9.5) 0.25 3 -8.62 2 5 0 64 264.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-tert-butyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-tert-butyl-5-(…

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) 0.25 3.64 -59.9 3 5 1 66 265.381 2 ↓
Hi High (pH 8-9.5) 0.25 3.35 -11.07 2 5 0 64 264.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-tert-butyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-tert-butyl-5-(…

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) 0.25 3.78 -52.03 3 5 1 66 265.381 2 ↓
Hi High (pH 8-9.5) 0.25 3.73 -8.47 2 5 0 64 264.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-isobutyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-isobutyl-5-(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) -0.26 3.62 -57.82 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.26 3.32 -10.28 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isobutyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-isobutyl-5-(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) -0.26 3.14 -62 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.26 2.86 -10.18 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isobutyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-isobutyl-5-(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) -0.26 3.51 -61.26 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.26 3.21 -12.63 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isobutyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-isobutyl-5-(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) -0.26 3.29 -51.59 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.26 3.03 -11.44 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-isobutyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-isobutyl-5-(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) 0.18 3.75 -54.62 3 5 1 66 265.381 3 ↓
Hi High (pH 8-9.5) 0.18 3.44 -9.55 2 5 0 64 264.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isobutyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-isobutyl-5-(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) 0.18 4.4 -61.99 3 5 1 66 265.381 3 ↓
Hi High (pH 8-9.5) 0.18 4.12 -9.87 2 5 0 64 264.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isobutyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-isobutyl-5-(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) 0.18 3.64 -60.14 3 5 1 66 265.381 3 ↓
Hi High (pH 8-9.5) 0.18 3.34 -11.3 2 5 0 64 264.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isobutyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-isobutyl-5-(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) 0.18 4.9 -50.04 3 5 1 66 265.381 3 ↓
Hi High (pH 8-9.5) 0.18 4.68 -10.83 2 5 0 64 264.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-(2-methoxyethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.40 1.19 -59.36 3 6 1 75 239.299 4 ↓
Hi High (pH 8-9.5) -1.40 0.9 -12.5 2 6 0 73 238.291 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-(2-methoxyethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.40 0.86 -64.4 3 6 1 75 239.299 4 ↓
Hi High (pH 8-9.5) -1.40 0.57 -12.59 2 6 0 73 238.291 4 ↓

Parameters Provided:

ring.id = 461637
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 = 461637 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=461637&filter.purchasability=annotated

Embed Link to Results