Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_n919ugdfbue7hkljjifihdus90, 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-methyl-1-[2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-4-pyridyl]methanamine N-methyl-1-[2-[(3S)-3-(1-piperid…

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) 1.71 8.35 -95.49 3 4 2 37 276.428 4 ↓
Hi High (pH 8-9.5) 1.71 6.16 -43.37 2 4 1 36 275.42 4 ↓
Hi High (pH 8-9.5) 1.71 4.72 -4.38 1 4 0 31 274.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-4-pyridyl]methanamine N-methyl-1-[2-[(3R)-3-(1-piperid…

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) 1.71 8.39 -94.91 3 4 2 37 276.428 4 ↓
Hi High (pH 8-9.5) 1.71 6.23 -42.24 2 4 1 36 275.42 4 ↓
Hi High (pH 8-9.5) 1.71 5.16 -26.72 2 4 1 33 275.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-4-pyridyl]methyl]ethanamine N-[[2-[(3S)-3-(1-piperidyl)pyrro…

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) 2.08 9.21 -95.14 3 4 2 37 290.455 5 ↓
Hi High (pH 8-9.5) 2.08 5.66 -4.18 1 4 0 31 288.439 5 ↓
Hi High (pH 8-9.5) 2.08 7.02 -42.54 2 4 1 36 289.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-4-pyridyl]methyl]ethanamine N-[[2-[(3R)-3-(1-piperidyl)pyrro…

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) 2.08 9.25 -94.5 3 4 2 37 290.455 5 ↓
Hi High (pH 8-9.5) 2.08 5.72 -4.29 1 4 0 31 288.439 5 ↓
Hi High (pH 8-9.5) 2.08 7.09 -41.43 2 4 1 36 289.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]methyl]ethanamine N-[[6-[(3S)-3-(1-piperidyl)pyrro…

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) 2.20 9.14 -82.22 3 4 2 37 290.455 5 ↓
Hi High (pH 8-9.5) 2.20 6.96 -35.85 2 4 1 36 289.447 5 ↓
Lo Low (pH 4.5-6) 2.20 8.11 -83.4 3 4 2 34 290.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]methyl]ethanamine N-[[6-[(3R)-3-(1-piperidyl)pyrro…

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) 2.20 9.19 -82.17 3 4 2 37 290.455 5 ↓
Hi High (pH 8-9.5) 2.20 7.03 -35.79 2 4 1 36 289.447 5 ↓
Lo Low (pH 4.5-6) 2.20 8.18 -83.48 3 4 2 34 290.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[6-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]methanamine N-methyl-1-[6-[(3S)-3-(1-piperid…

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) 1.83 8.28 -82.83 3 4 2 37 276.428 4 ↓
Hi High (pH 8-9.5) 1.83 6.1 -36.78 2 4 1 36 275.42 4 ↓
Hi High (pH 8-9.5) 1.83 5 -23.99 2 4 1 33 275.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]methanamine N-methyl-1-[6-[(3R)-3-(1-piperid…

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) 1.83 8.33 -82.86 3 4 2 37 276.428 4 ↓
Hi High (pH 8-9.5) 1.83 6.17 -36.69 2 4 1 36 275.42 4 ↓
Hi High (pH 8-9.5) 1.83 5.1 -23.89 2 4 1 33 275.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [2-[(3S)-3-(1-piperidyl)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) 1.33 6.82 -106.11 4 4 2 48 262.401 3 ↓
Hi High (pH 8-9.5) 1.33 4.2 -4.55 2 4 0 45 260.385 3 ↓
Hi High (pH 8-9.5) 1.33 4.64 -46.12 3 4 1 47 261.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [2-[(3R)-3-(1-piperidyl)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) 1.33 6.8 -109.09 4 4 2 48 262.401 3 ↓
Hi High (pH 8-9.5) 1.33 4.67 -46.54 3 4 1 47 261.393 3 ↓
Hi High (pH 8-9.5) 1.33 4.26 -4.92 2 4 0 45 260.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]methanamine [6-[(3S)-3-(1-piperidyl)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) 1.45 6.41 -87.79 4 4 2 48 262.401 3 ↓
Hi High (pH 8-9.5) 1.45 4.23 -42.04 3 4 1 47 261.393 3 ↓
Hi High (pH 8-9.5) 1.45 4.17 -24.04 3 4 1 47 261.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]methanamine [6-[(3R)-3-(1-piperidyl)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) 1.45 6.45 -87.79 4 4 2 48 262.401 3 ↓
Hi High (pH 8-9.5) 1.45 4.3 -42.06 3 4 1 47 261.393 3 ↓
Hi High (pH 8-9.5) 1.45 3.89 -4.5 2 4 0 45 260.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-chloro-6-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]methanamine [3-chloro-6-[(3S)-3-(1-piperidyl…

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 6.8 -87.02 4 4 2 48 296.846 3 ↓
Hi High (pH 8-9.5) 2.47 4.62 -37.79 3 4 1 47 295.838 3 ↓
Hi High (pH 8-9.5) 2.47 6.4 -41.11 3 4 1 47 295.838 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-chloro-6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]methanamine [3-chloro-6-[(3R)-3-(1-piperidyl…

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 6.86 -86.89 4 4 2 48 296.846 3 ↓
Hi High (pH 8-9.5) 2.47 4.7 -37.98 3 4 1 47 295.838 3 ↓
Hi High (pH 8-9.5) 2.47 6.46 -40.89 3 4 1 47 295.838 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4,6-dimethyl-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [4,6-dimethyl-2-[(3S)-3-(1-piper…

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 8.48 -186.75 5 4 3 49 291.463 3 ↓
Hi High (pH 8-9.5) 2.15 6.29 -98.82 4 4 2 48 290.455 3 ↓
Hi High (pH 8-9.5) 2.15 5.92 -23.22 3 4 1 47 289.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4,6-dimethyl-2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [4,6-dimethyl-2-[(3R)-3-(1-piper…

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 8.54 -178.33 5 4 3 49 291.463 3 ↓
Hi High (pH 8-9.5) 2.15 8.11 -101.45 4 4 2 48 290.455 3 ↓
Hi High (pH 8-9.5) 2.15 6.41 -97.72 4 4 2 48 290.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [6-[(3S)-3-(1-piperidyl)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) 1.39 6.45 -90.9 4 4 2 48 262.401 3 ↓
Hi High (pH 8-9.5) 1.39 3.87 -4.77 2 4 0 45 260.385 3 ↓
Hi High (pH 8-9.5) 1.39 4.27 -46.4 3 4 1 47 261.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [6-[(3R)-3-(1-piperidyl)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) 1.39 6.49 -90.55 4 4 2 48 262.401 3 ↓
Hi High (pH 8-9.5) 1.39 4.34 -46.05 3 4 1 47 261.393 3 ↓
Hi High (pH 8-9.5) 1.39 3.93 -4.71 2 4 0 45 260.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-chloro-6-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [5-chloro-6-[(3S)-3-(1-piperidyl…

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) 1.99 6.7 -90.07 4 4 2 48 296.846 3 ↓
Hi High (pH 8-9.5) 1.99 4.53 -48.25 3 4 1 47 295.838 3 ↓
Hi High (pH 8-9.5) 1.99 4.13 -4.11 2 4 0 45 294.83 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-chloro-6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [5-chloro-6-[(3R)-3-(1-piperidyl…

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) 1.99 6.74 -89.69 4 4 2 48 296.846 3 ↓
Hi High (pH 8-9.5) 1.99 6.33 -35.43 3 4 1 47 295.838 3 ↓
Hi High (pH 8-9.5) 1.99 4.58 -48.18 3 4 1 47 295.838 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-4-pyridyl]methanamine [2-[(3S)-3-(1-piperidyl)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) 1.33 6.48 -100.67 4 4 2 48 262.401 3 ↓
Hi High (pH 8-9.5) 1.33 3.9 -4.83 2 4 0 45 260.385 3 ↓
Hi High (pH 8-9.5) 1.33 4.35 -26.77 3 4 1 47 261.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-4-pyridyl]methanamine [2-[(3R)-3-(1-piperidyl)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) 1.33 6.52 -100.04 4 4 2 48 262.401 3 ↓
Hi High (pH 8-9.5) 1.33 4.34 -26.55 3 4 1 47 261.393 3 ↓
Hi High (pH 8-9.5) 1.33 3.97 -4.89 2 4 0 45 260.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-bromo-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [5-bromo-2-[(3S)-3-(1-piperidyl)…

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) 2.29 7.4 -110.63 4 4 2 48 341.297 3 ↓
Hi High (pH 8-9.5) 2.29 6.97 -37.11 3 4 1 47 340.289 3 ↓
Hi High (pH 8-9.5) 2.29 5.22 -47.71 3 4 1 47 340.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-bromo-2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [5-bromo-2-[(3R)-3-(1-piperidyl)…

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) 2.29 7.4 -113.56 4 4 2 48 341.297 3 ↓
Hi High (pH 8-9.5) 2.29 6.99 -38.57 3 4 1 47 340.289 3 ↓
Hi High (pH 8-9.5) 2.29 5.24 -47.95 3 4 1 47 340.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine N-methyl-1-[2-[(3S)-3-(1-piperid…

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) 1.71 8.68 -100.43 3 4 2 37 276.428 4 ↓
Hi High (pH 8-9.5) 1.71 6.49 -40.81 2 4 1 36 275.42 4 ↓
Mid Mid (pH 6-8) 1.71 9.14 -179.85 4 4 3 38 277.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine N-methyl-1-[2-[(3R)-3-(1-piperid…

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) 1.71 8.63 -103.51 3 4 2 37 276.428 4 ↓
Hi High (pH 8-9.5) 1.71 6.47 -41.09 2 4 1 36 275.42 4 ↓
Mid Mid (pH 6-8) 1.71 9.14 -180.67 4 4 3 38 277.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methyl]ethanamine N-[[2-[(3S)-3-(1-piperidyl)pyrro…

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) 2.08 9.53 -99.36 3 4 2 37 290.455 5 ↓
Hi High (pH 8-9.5) 2.08 7.35 -39.66 2 4 1 36 289.447 5 ↓
Mid Mid (pH 6-8) 2.08 10 -180.25 4 4 3 38 291.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methyl]ethanamine N-[[2-[(3R)-3-(1-piperidyl)pyrro…

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) 2.08 9.49 -103.1 3 4 2 37 290.455 5 ↓
Hi High (pH 8-9.5) 2.08 7.32 -39.77 2 4 1 36 289.447 5 ↓
Mid Mid (pH 6-8) 2.08 9.99 -181.54 4 4 3 38 291.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-chloro-6-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]-N-methyl-methanamine 1-[3-chloro-6-[(3S)-3-(1-piperid…

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) 2.84 8.67 -82.37 3 4 2 37 310.873 4 ↓
Hi High (pH 8-9.5) 2.84 6.49 -32.77 2 4 1 36 309.865 4 ↓
Hi High (pH 8-9.5) 2.84 7.23 -40.92 2 4 1 33 309.865 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-chloro-6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]-N-methyl-methanamine 1-[3-chloro-6-[(3R)-3-(1-piperid…

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) 2.84 8.73 -82.18 3 4 2 37 310.873 4 ↓
Hi High (pH 8-9.5) 2.84 6.58 -33.02 2 4 1 36 309.865 4 ↓
Hi High (pH 8-9.5) 2.84 7.29 -40.57 2 4 1 33 309.865 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[6-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine N-methyl-1-[6-[(3S)-3-(1-piperid…

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) 1.76 8.31 -85.82 3 4 2 37 276.428 4 ↓
Hi High (pH 8-9.5) 1.76 6.14 -40.88 2 4 1 36 275.42 4 ↓
Hi High (pH 8-9.5) 1.76 4.69 -4.38 1 4 0 31 274.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine N-methyl-1-[6-[(3R)-3-(1-piperid…

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) 1.76 8.37 -85.37 3 4 2 37 276.428 4 ↓
Hi High (pH 8-9.5) 1.76 6.21 -40.77 2 4 1 36 275.42 4 ↓
Hi High (pH 8-9.5) 1.76 4.77 -4.29 1 4 0 31 274.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methyl]ethanamine N-[[6-[(3S)-3-(1-piperidyl)pyrro…

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) 2.14 9.17 -85.34 3 4 2 37 290.455 5 ↓
Hi High (pH 8-9.5) 2.14 6.99 -40.1 2 4 1 36 289.447 5 ↓
Mid Mid (pH 6-8) 2.14 9.62 -170.11 4 4 3 38 291.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methyl]ethanamine N-[[6-[(3R)-3-(1-piperidyl)pyrro…

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) 2.14 9.23 -84.98 3 4 2 37 290.455 5 ↓
Hi High (pH 8-9.5) 2.14 7.07 -39.92 2 4 1 36 289.447 5 ↓
Mid Mid (pH 6-8) 2.14 9.58 -170.13 4 4 3 38 291.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-chloro-6-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]-N-methyl-methanamine 1-[5-chloro-6-[(3S)-3-(1-piperid…

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) 2.37 8.57 -85.18 3 4 2 37 310.873 4 ↓
Hi High (pH 8-9.5) 2.37 6.4 -42.77 2 4 1 36 309.865 4 ↓
Hi High (pH 8-9.5) 2.37 7.13 -34.89 2 4 1 33 309.865 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-chloro-6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]-N-methyl-methanamine 1-[5-chloro-6-[(3R)-3-(1-piperid…

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) 2.37 8.61 -84.24 3 4 2 37 310.873 4 ↓
Hi High (pH 8-9.5) 2.37 6.45 -42.74 2 4 1 36 309.865 4 ↓
Hi High (pH 8-9.5) 2.37 5.01 -3.72 1 4 0 31 308.857 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-bromo-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]-N-methyl-methanamine 1-[5-bromo-2-[(3S)-3-(1-piperidy…

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) 2.66 9.28 -104.69 3 4 2 37 355.324 4 ↓
Hi High (pH 8-9.5) 2.66 8.17 -33.78 2 4 1 33 354.316 4 ↓
Hi High (pH 8-9.5) 2.66 5.98 -3.08 1 4 0 31 353.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-bromo-2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]-N-methyl-methanamine 1-[5-bromo-2-[(3R)-3-(1-piperidy…

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) 2.66 9.22 -107.75 3 4 2 37 355.324 4 ↓
Hi High (pH 8-9.5) 2.66 8.13 -35.72 2 4 1 33 354.316 4 ↓
Hi High (pH 8-9.5) 2.66 5.98 -3.62 1 4 0 31 353.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]pyridin-3-amine 6-[(3S)-3-(1-piperidyl)pyrrolidi…

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) 1.85 6.31 -38.75 3 4 1 47 247.366 2 ↓
Hi High (pH 8-9.5) 1.85 4.13 -5.16 2 4 0 45 246.358 2 ↓
Mid Mid (pH 6-8) 1.85 6.76 -84.38 4 4 2 48 248.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]pyridin-3-amine 6-[(3R)-3-(1-piperidyl)pyrrolidi…

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) 1.85 6.36 -38.46 3 4 1 47 247.366 2 ↓
Hi High (pH 8-9.5) 1.85 4.21 -5.06 2 4 0 45 246.358 2 ↓
Mid Mid (pH 6-8) 1.85 6.72 -84.39 4 4 2 48 248.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]pyridin-3-amine 5-bromo-2-[(3S)-3-(1-piperidyl)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) 2.59 7.38 -37.02 3 4 1 47 326.262 2 ↓
Hi High (pH 8-9.5) 2.59 5.2 -3.87 2 4 0 45 325.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]pyridin-3-amine 5-bromo-2-[(3R)-3-(1-piperidyl)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) 2.59 7.41 -36.63 3 4 1 47 326.262 2 ↓
Hi High (pH 8-9.5) 2.59 5.25 -4.66 2 4 0 45 325.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]pyridine-3-carboxamide 5-amino-2-[(3S)-3-(1-piperidyl)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) 0.60 3.87 -33.44 5 6 1 90 290.391 3 ↓
Hi High (pH 8-9.5) 0.60 1.69 -11.33 4 6 0 88 289.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]pyridine-3-carboxamide 5-amino-2-[(3R)-3-(1-piperidyl)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) 0.60 3.89 -33.43 5 6 1 90 290.391 3 ↓
Hi High (pH 8-9.5) 0.60 1.76 -11.39 4 6 0 88 289.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]pyridin-4-amine 2-[(3S)-3-(1-piperidyl)pyrrolidi…

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) 1.23 6.75 -84.75 4 4 2 48 248.374 2 ↓
Mid Mid (pH 6-8) 1.23 4.58 -25.9 3 4 1 47 247.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]pyridin-4-amine 2-[(3R)-3-(1-piperidyl)pyrrolidi…

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) 1.23 6.73 -84.72 4 4 2 48 248.374 2 ↓
Mid Mid (pH 6-8) 1.23 4.57 -25.69 3 4 1 47 247.366 2 ↓

Analogs

44689539
44689539
44689542
44689542

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]pyridin-3-amine 2-[(3S)-3-(1-piperidyl)pyrrolidi…

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) 1.63 6.78 -35.9 3 4 1 47 247.366 2 ↓
Hi High (pH 8-9.5) 1.63 4.6 -5.29 2 4 0 45 246.358 2 ↓
Mid Mid (pH 6-8) 1.63 7.24 -81.83 4 4 2 48 248.374 2 ↓

Analogs

44689539
44689539
44689542
44689542

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]pyridin-3-amine 2-[(3R)-3-(1-piperidyl)pyrrolidi…

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) 1.63 6.82 -35.45 3 4 1 47 247.366 2 ↓
Hi High (pH 8-9.5) 1.63 4.66 -6.04 2 4 0 45 246.358 2 ↓
Mid Mid (pH 6-8) 1.63 7.28 -81.81 4 4 2 48 248.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]pyridine-3-carbonitrile 5-amino-2-[(3S)-3-(1-piperidyl)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) 1.53 6.33 -37.18 3 5 1 70 272.376 2 ↓
Hi High (pH 8-9.5) 1.53 4.16 -5.92 2 5 0 69 271.368 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]pyridine-3-carbonitrile 5-amino-2-[(3R)-3-(1-piperidyl)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) 1.53 6.36 -33.9 3 5 1 70 272.376 2 ↓
Hi High (pH 8-9.5) 1.53 4.2 -6.77 2 5 0 69 271.368 2 ↓

Parameters Provided:

ring.id = 323700
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 = 323700 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=323700&filter.purchasability=annotated

Embed Link to Results