Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_shobeovtsrev8hncdgginlpmu0, 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: 1-[(3S,6R)-6-methyl-3-piperidyl]azepane 1-[(3S,6R)-6-methyl-3-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) 2.26 6.23 -105.1 3 2 2 21 198.354 1 ↓
Hi High (pH 8-9.5) 2.26 4.33 -36.22 2 2 1 20 197.346 1 ↓
Hi High (pH 8-9.5) 2.26 3.08 -0.35 1 2 0 15 196.338 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,6S)-6-methyl-3-piperidyl]azepane 1-[(3S,6S)-6-methyl-3-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) 2.26 6.52 -105.69 3 2 2 21 198.354 1 ↓
Hi High (pH 8-9.5) 2.26 4.62 -35.43 2 2 1 20 197.346 1 ↓
Hi High (pH 8-9.5) 2.26 3.34 -0.29 1 2 0 15 196.338 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R,6R)-6-methyl-3-piperidyl]azepane 1-[(3R,6R)-6-methyl-3-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) 2.26 6.58 -103.38 3 2 2 21 198.354 1 ↓
Hi High (pH 8-9.5) 2.26 3.07 -0.55 1 2 0 15 196.338 1 ↓
Hi High (pH 8-9.5) 2.26 4.34 -36.16 2 2 1 20 197.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R,6S)-6-methyl-3-piperidyl]azepane 1-[(3R,6S)-6-methyl-3-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) 2.26 6.23 -104.97 3 2 2 21 198.354 1 ↓
Hi High (pH 8-9.5) 2.26 3.05 -0.47 1 2 0 15 196.338 1 ↓
Hi High (pH 8-9.5) 2.26 4.3 -36.42 2 2 1 20 197.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1-(2-methoxyethyl)-3-piperidyl]azepane 1-[(3S)-1-(2-methoxyethyl)-3-pip…

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 5.6 -32.05 1 3 1 17 241.399 4 ↓
Hi High (pH 8-9.5) 2.16 3.71 -1.84 0 3 0 16 240.391 4 ↓
Lo Low (pH 4.5-6) 2.16 7.87 -100.38 2 3 2 18 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1-(2-methoxyethyl)-3-piperidyl]azepane 1-[(3R)-1-(2-methoxyethyl)-3-pip…

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 5.55 -31.41 1 3 1 17 241.399 4 ↓
Hi High (pH 8-9.5) 2.16 3.63 -2.03 0 3 0 16 240.391 4 ↓
Lo Low (pH 4.5-6) 2.16 7.87 -101.11 2 3 2 18 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(azepan-1-yl)-1-piperidyl]-N-[(1S)-1-cyano-1,2-dimethyl-propyl]acetamide 2-[(3S)-3-(azepan-1-yl)-1-piperi…

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) 3.12 7.02 -44.02 2 5 1 61 335.516 5 ↓
Hi High (pH 8-9.5) 3.12 5.09 -12.48 1 5 0 59 334.508 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(azepan-1-yl)-1-piperidyl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide 2-[(3S)-3-(azepan-1-yl)-1-piperi…

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) 3.12 7 -45.85 2 5 1 61 335.516 5 ↓
Hi High (pH 8-9.5) 3.12 5.11 -11.35 1 5 0 59 334.508 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1-(2-ethoxyethyl)-3-piperidyl]azepane 1-[(3S)-1-(2-ethoxyethyl)-3-pipe…

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) 2.54 6.56 -32.07 1 3 1 17 255.426 5 ↓
Hi High (pH 8-9.5) 2.54 4.69 -1.79 0 3 0 16 254.418 5 ↓
Lo Low (pH 4.5-6) 2.54 8.83 -100.93 2 3 2 18 256.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1-(2-ethoxyethyl)-3-piperidyl]azepane 1-[(3R)-1-(2-ethoxyethyl)-3-pipe…

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) 2.54 6.53 -31.24 1 3 1 17 255.426 5 ↓
Hi High (pH 8-9.5) 2.54 4.61 -1.93 0 3 0 16 254.418 5 ↓
Lo Low (pH 4.5-6) 2.54 8.84 -101.32 2 3 2 18 256.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(azepan-1-yl)-1-piperidyl]acetonitrile 2-[(3R)-3-(azepan-1-yl)-1-piperi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 6.23 -40.87 1 3 1 31 222.356 2 ↓
Hi High (pH 8-9.5) 1.96 3.97 -5.5 0 3 0 30 221.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(azepan-1-yl)-1-piperidyl]acetonitrile 2-[(3S)-3-(azepan-1-yl)-1-piperi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 6.24 -41.01 1 3 1 31 222.356 2 ↓
Hi High (pH 8-9.5) 1.96 4.02 -5.3 0 3 0 30 221.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(azepan-1-yl)-1-piperidyl]-N-isopropyl-N-methyl-acetamide 2-[(3S)-3-(azepan-1-yl)-1-piperi…

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 7.67 -39.04 1 4 1 28 296.479 4 ↓
Hi High (pH 8-9.5) 2.20 5.76 -6.62 0 4 0 27 295.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(azepan-1-yl)-1-piperidyl]-N-isopropyl-N-methyl-acetamide 2-[(3R)-3-(azepan-1-yl)-1-piperi…

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 7.66 -38.9 1 4 1 28 296.479 4 ↓
Hi High (pH 8-9.5) 2.20 5.74 -6.48 0 4 0 27 295.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(azepan-1-yl)-1-piperidyl]-N,N-bis(2-cyanoethyl)acetamide 2-[(3R)-3-(azepan-1-yl)-1-piperi…

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 9.11 -50.14 1 6 1 76 346.499 7 ↓
Hi High (pH 8-9.5) 0.44 6.85 -16.73 0 6 0 74 345.491 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(azepan-1-yl)-1-piperidyl]-N,N-bis(2-cyanoethyl)acetamide 2-[(3S)-3-(azepan-1-yl)-1-piperi…

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 9.13 -51.11 1 6 1 76 346.499 7 ↓
Hi High (pH 8-9.5) 0.44 7.15 -16.74 0 6 0 74 345.491 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1-methylsulfonyl-3-piperidyl]azepane 1-[(3S)-1-methylsulfonyl-3-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) 1.55 4.63 -43.64 1 4 1 42 261.411 2 ↓
Hi High (pH 8-9.5) 1.55 2.72 -8.71 0 4 0 41 260.403 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1-methylsulfonyl-3-piperidyl]azepane 1-[(3R)-1-methylsulfonyl-3-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) 1.55 4.51 -40.66 1 4 1 42 261.411 2 ↓
Hi High (pH 8-9.5) 1.55 2.75 -8.84 0 4 0 41 260.403 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1-propylsulfonyl-3-piperidyl]azepane 1-[(3S)-1-propylsulfonyl-3-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) 2.43 6.33 -43.81 1 4 1 42 289.465 4 ↓
Hi High (pH 8-9.5) 2.43 4.42 -8.25 0 4 0 41 288.457 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1-propylsulfonyl-3-piperidyl]azepane 1-[(3R)-1-propylsulfonyl-3-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) 2.43 6.21 -40.71 1 4 1 42 289.465 4 ↓
Hi High (pH 8-9.5) 2.43 4.45 -8.39 0 4 0 41 288.457 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-1-[(3R)-3-piperidyl]azepane (2R)-2-methyl-1-[(3R)-3-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) 1.91 5.87 -102.39 3 2 2 21 198.354 1 ↓
Hi High (pH 8-9.5) 1.91 2.66 -0.6 1 2 0 15 196.338 1 ↓
Hi High (pH 8-9.5) 1.91 4 -37.66 2 2 1 20 197.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-1-[(3R)-3-piperidyl]azepane (2S)-2-methyl-1-[(3R)-3-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) 1.91 5.82 -102.66 3 2 2 21 198.354 1 ↓
Hi High (pH 8-9.5) 1.91 2.61 -0.6 1 2 0 15 196.338 1 ↓
Hi High (pH 8-9.5) 1.91 3.95 -38.71 2 2 1 20 197.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-1-[(3S,6R)-6-methyl-3-piperidyl]azepane (2S)-2-methyl-1-[(3S,6R)-6-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 6.35 -102.85 3 2 2 21 212.381 1 ↓
Hi High (pH 8-9.5) 2.59 3.4 -0.35 1 2 0 15 210.365 1 ↓
Hi High (pH 8-9.5) 2.59 4.65 -36.31 2 2 1 20 211.373 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-1-[(3S,6S)-6-methyl-3-piperidyl]azepane (2S)-2-methyl-1-[(3S,6S)-6-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 6.64 -103.64 3 2 2 21 212.381 1 ↓
Hi High (pH 8-9.5) 2.59 3.67 -0.3 1 2 0 15 210.365 1 ↓
Hi High (pH 8-9.5) 2.59 4.94 -35.38 2 2 1 20 211.373 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-1-[(3R,6R)-6-methyl-3-piperidyl]azepane (2S)-2-methyl-1-[(3R,6R)-6-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 6.6 -102.4 3 2 2 21 212.381 1 ↓
Hi High (pH 8-9.5) 2.59 4.9 -36.01 2 2 1 20 211.373 1 ↓
Hi High (pH 8-9.5) 2.59 3.63 -0.37 1 2 0 15 210.365 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-1-[(3R,6S)-6-methyl-3-piperidyl]azepane (2S)-2-methyl-1-[(3R,6S)-6-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 6.31 -101.58 3 2 2 21 212.381 1 ↓
Hi High (pH 8-9.5) 2.59 3.35 -0.35 1 2 0 15 210.365 1 ↓
Hi High (pH 8-9.5) 2.59 4.61 -36.91 2 2 1 20 211.373 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(azepan-1-yl)-1-piperidyl]-N-(2,2,2-trifluoroethyl)acetamide 2-[(3R)-3-(azepan-1-yl)-1-piperi…

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) 2.71 5.61 -37.39 2 4 1 37 322.395 5 ↓
Hi High (pH 8-9.5) 2.71 3.35 -5.56 1 4 0 36 321.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(azepan-1-yl)-1-piperidyl]-N-(2,2,2-trifluoroethyl)acetamide 2-[(3S)-3-(azepan-1-yl)-1-piperi…

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) 2.71 5.62 -37.56 2 4 1 37 322.395 5 ↓
Hi High (pH 8-9.5) 2.71 3.39 -5.44 1 4 0 36 321.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(azepan-1-yl)-1-piperidyl]-N-(methylcarbamoyl)acetamide 2-[(3S)-3-(azepan-1-yl)-1-piperi…

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) 1.43 4.39 -51.17 3 6 1 66 297.423 3 ↓
Hi High (pH 8-9.5) 1.43 2.48 -17 2 6 0 65 296.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(azepan-1-yl)-1-piperidyl]-N-(methylcarbamoyl)acetamide 2-[(3R)-3-(azepan-1-yl)-1-piperi…

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) 1.43 4.37 -51.11 3 6 1 66 297.423 3 ↓
Hi High (pH 8-9.5) 1.43 2.45 -16.81 2 6 0 65 296.415 3 ↓

Analogs

70613547
70613547
70613548
70613548

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(piperidin-3-yl)azepane 1-(piperidin-3-yl)azepane

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) 1.58 5.88 -103.27 3 2 2 21 184.327 1 ↓
Mid Mid (pH 6-8) 1.58 3.62 -37.62 2 2 1 20 183.319 1 ↓
Mid Mid (pH 6-8) 1.58 4.55 -28.65 2 2 1 16 183.319 1 ↓

Analogs

70613547
70613547
70613548
70613548

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(piperidin-3-yl)azepane 1-(piperidin-3-yl)azepane

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) 1.58 5.89 -103.61 3 2 2 21 184.327 1 ↓
Mid Mid (pH 6-8) 1.58 3.68 -37.34 2 2 1 20 183.319 1 ↓
Mid Mid (pH 6-8) 1.58 4.56 -29.5 2 2 1 16 183.319 1 ↓

Parameters Provided:

ring.id = 257840
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 = 257840 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=257840&filter.purchasability=annotated

Embed Link to Results