Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_l6e1scgcfa07qeavq8tu4jv8v3, 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

43454330
43454330
43454332
43454332
43454523
43454523

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-ethylcyclohexyl)methyl]piperazine 1-[(4-ethylcyclohexyl)methyl]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) 2.38 5.58 -36.6 2 2 1 20 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-butylcyclohexyl)methyl]piperazine 1-[(4-butylcyclohexyl)methyl]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) 3.45 6.83 -36.67 2 2 1 20 239.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclohexyl-2-(4-methylpiperazin-1-yl)acetonitrile (2R)-2-cyclohexyl-2-(4-methylpip…

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 6.59 -38.44 1 3 1 31 222.356 2 ↓
Mid Mid (pH 6-8) 2.29 4.22 -5.2 0 3 0 30 221.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclohexyl-2-(4-methylpiperazin-1-yl)acetonitrile (2S)-2-cyclohexyl-2-(4-methylpip…

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 6.57 -38.43 1 3 1 31 222.356 2 ↓
Mid Mid (pH 6-8) 2.29 4.22 -5.18 0 3 0 30 221.348 2 ↓

Analogs

43454330
43454330
43454332
43454332
43454523
43454523

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclohexylmethyl)-4-propyl-piperazine 1-(cyclohexylmethyl)-4-propyl-pi…

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) 3.40 7.66 -32.83 1 2 1 8 225.4 4 ↓
Hi High (pH 8-9.5) 3.40 8 -31.61 1 2 1 8 225.4 4 ↓
Hi High (pH 8-9.5) 3.40 5.74 -0.65 0 2 0 6 224.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexanol (1S,2S)-2-[(4-tert-butylpiperazi…

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) 2.56 4.61 -32.42 2 3 1 28 255.426 3 ↓
Hi High (pH 8-9.5) 2.56 4.77 -29.92 2 3 1 28 255.426 3 ↓
Hi High (pH 8-9.5) 2.56 2.64 -2.21 1 3 0 27 254.418 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexanol (1S,2R)-2-[(4-tert-butylpiperazi…

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) 2.56 4.47 -31.99 2 3 1 28 255.426 3 ↓
Hi High (pH 8-9.5) 2.56 4.66 -28.89 2 3 1 28 255.426 3 ↓
Hi High (pH 8-9.5) 2.56 2.53 -2.52 1 3 0 27 254.418 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexanol (1R,2S)-2-[(4-tert-butylpiperazi…

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) 2.56 4.47 -31.94 2 3 1 28 255.426 3 ↓
Hi High (pH 8-9.5) 2.56 4.73 -28.96 2 3 1 28 255.426 3 ↓
Hi High (pH 8-9.5) 2.56 2.6 -2.42 1 3 0 27 254.418 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexanol (1R,2R)-2-[(4-tert-butylpiperazi…

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) 2.56 4.61 -32.51 2 3 1 28 255.426 3 ↓
Hi High (pH 8-9.5) 2.56 4.84 -29.81 2 3 1 28 255.426 3 ↓
Hi High (pH 8-9.5) 2.56 2.7 -2.21 1 3 0 27 254.418 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[(4-tert-butylpiper…

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) 2.56 5.21 -32.86 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 2.56 3.27 -2.14 1 3 0 27 268.445 3 ↓
Hi High (pH 8-9.5) 2.56 5.41 -29.92 2 3 1 28 269.453 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-methyl-cyclohexanol (1S,2S,4S)-2-[(4-tert-butylpiper…

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) 2.56 4.97 -32.77 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 2.56 5.19 -30.07 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 2.56 3.06 -2.16 1 3 0 27 268.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-methyl-cyclohexanol (1R,2S,4R)-2-[(4-tert-butylpiper…

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) 2.56 5.67 -29.2 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 2.56 6.36 -27.29 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 2.56 4.23 -1.81 1 3 0 27 268.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-methyl-cyclohexanol (1R,2S,4S)-2-[(4-tert-butylpiper…

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) 2.56 4.85 -32.44 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 2.56 5.06 -29.02 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 2.56 2.92 -2.29 1 3 0 27 268.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-ethyl-cyclohexanol (1S,2S,4R)-2-[(4-tert-butylpiper…

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) 3.25 5.86 -32.93 2 3 1 28 283.48 4 ↓
Hi High (pH 8-9.5) 3.25 6.07 -29.87 2 3 1 28 283.48 4 ↓
Hi High (pH 8-9.5) 3.25 3.92 -2.08 1 3 0 27 282.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-ethyl-cyclohexanol (1S,2S,4S)-2-[(4-tert-butylpiper…

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) 3.25 5.45 -31.85 2 3 1 28 283.48 4 ↓
Hi High (pH 8-9.5) 3.25 5.66 -29.05 2 3 1 28 283.48 4 ↓
Hi High (pH 8-9.5) 3.25 3.53 -2.32 1 3 0 27 282.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-ethyl-cyclohexanol (1R,2S,4R)-2-[(4-tert-butylpiper…

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) 3.25 5.71 -32.73 2 3 1 28 283.48 4 ↓
Hi High (pH 8-9.5) 3.25 5.92 -29.09 2 3 1 28 283.48 4 ↓
Hi High (pH 8-9.5) 3.25 3.79 -2.35 1 3 0 27 282.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-ethyl-cyclohexanol (1R,2S,4S)-2-[(4-tert-butylpiper…

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) 3.25 5.53 -35.86 2 3 1 28 283.48 4 ↓
Hi High (pH 8-9.5) 3.25 5.76 -31.09 2 3 1 28 283.48 4 ↓
Hi High (pH 8-9.5) 3.25 3.62 -2.33 1 3 0 27 282.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[(4-tert-butylpiper…

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) 3.81 6.64 -33.19 2 3 1 28 297.507 5 ↓
Hi High (pH 8-9.5) 3.81 6.8 -30.19 2 3 1 28 297.507 5 ↓
Hi High (pH 8-9.5) 3.81 4.67 -1.72 1 3 0 27 296.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-propyl-cyclohexanol (1S,2S,4S)-2-[(4-tert-butylpiper…

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) 3.81 6.21 -32.12 2 3 1 28 297.507 5 ↓
Hi High (pH 8-9.5) 3.81 4.29 -2.24 1 3 0 27 296.499 5 ↓
Hi High (pH 8-9.5) 3.81 6.41 -29.09 2 3 1 28 297.507 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[(4-tert-butylpiper…

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) 3.81 6.48 -32.81 2 3 1 28 297.507 5 ↓
Hi High (pH 8-9.5) 3.81 6.68 -29.07 2 3 1 28 297.507 5 ↓
Hi High (pH 8-9.5) 3.81 4.54 -2.32 1 3 0 27 296.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-propyl-cyclohexanol (1R,2S,4S)-2-[(4-tert-butylpiper…

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) 3.81 6.28 -36.16 2 3 1 28 297.507 5 ↓
Hi High (pH 8-9.5) 3.81 4.38 -2.23 1 3 0 27 296.499 5 ↓
Hi High (pH 8-9.5) 3.81 6.51 -31.13 2 3 1 28 297.507 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-tert-butylcyclohexyl)methyl]piperazine 1-[(4-tert-butylcyclohexyl)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) 3.03 6.12 -37.07 2 2 1 20 239.427 3 ↓

Analogs

42781676
42781676
42782020
42782020

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclohexylmethyl)-4-(2,2-difluoroethyl)piperazine 1-(cyclohexylmethyl)-4-(2,2-difl…

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) 3.09 7.29 -35.07 1 2 1 8 247.353 4 ↓
Hi High (pH 8-9.5) 3.09 5.45 -3.57 0 2 0 6 246.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-cyclohexylpropyl]piperazine 1-[(1S)-1-cyclohexylpropyl]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) 2.79 5.19 -37.29 2 2 1 20 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclohexylpropyl]piperazine 1-[(1R)-1-cyclohexylpropyl]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) 2.79 4.87 -37.05 2 2 1 20 211.373 3 ↓

Analogs

37878301
37878301
19727547
19727547

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclohexanol 1-[[4-(2-hydroxyethyl)piperazin-…

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) 0.95 1.73 -30.22 3 4 1 48 243.371 4 ↓
Mid Mid (pH 6-8) 0.95 -0.61 -4.52 2 4 0 47 242.363 4 ↓
Mid Mid (pH 6-8) 0.95 1.12 -32.44 3 4 1 48 243.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclohexyl-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]ethanamine (2R)-2-cyclohexyl-2-[4-[(1R)-1-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) 2.52 6.02 -100.9 4 3 2 35 269.477 5 ↓
Hi High (pH 8-9.5) 2.52 4.05 -43.06 3 3 1 34 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclohexyl-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]ethanamine (2R)-2-cyclohexyl-2-[4-[(1S)-1-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) 2.52 6.03 -100.35 4 3 2 35 269.477 5 ↓
Hi High (pH 8-9.5) 2.52 4.08 -43.11 3 3 1 34 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclohexyl-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]ethanamine (2S)-2-cyclohexyl-2-[4-[(1R)-1-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) 2.52 6.01 -97.85 4 3 2 35 269.477 5 ↓
Hi High (pH 8-9.5) 2.52 3.94 -41.74 3 3 1 34 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclohexyl-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]ethanamine (2S)-2-cyclohexyl-2-[4-[(1S)-1-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) 2.52 6.01 -100.91 4 3 2 35 269.477 5 ↓
Hi High (pH 8-9.5) 2.52 4.08 -43.03 3 3 1 34 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanecarbaldehyde 1-[[4-[(1R)-1-methylpropyl]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) 3.25 8.12 -32.92 1 3 1 25 267.437 5 ↓
Hi High (pH 8-9.5) 3.25 6.33 -4.14 0 3 0 24 266.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanecarbaldehyde 1-[[4-[(1S)-1-methylpropyl]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) 3.25 8.11 -32.65 1 3 1 25 267.437 5 ↓
Hi High (pH 8-9.5) 3.25 6.12 -4.17 0 3 0 24 266.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexyl]methanamine N-methyl-1-[1-[[4-[(1R)-1-methyl…

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) 3.22 8.03 -89.14 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 3.22 6.2 -37.52 2 3 1 23 282.496 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexyl]methanamine N-methyl-1-[1-[[4-[(1S)-1-methyl…

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) 3.22 8.05 -89.51 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 3.22 6.17 -38.26 2 3 1 23 282.496 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexyl]methyl]ethanamine N-[[1-[[4-[(1R)-1-methylpropyl]p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 8.88 -88.68 3 3 2 24 297.531 7 ↓
Hi High (pH 8-9.5) 3.24 7.05 -36.06 2 3 1 23 296.523 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexyl]methyl]ethanamine N-[[1-[[4-[(1S)-1-methylpropyl]p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 8.91 -89.7 3 3 2 24 297.531 7 ↓
Hi High (pH 8-9.5) 3.24 7.02 -37.08 2 3 1 23 296.523 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexyl]methanamine [1-[[4-[(1R)-1-methylpropyl]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) 2.24 6.28 -99.85 4 3 2 35 269.477 5 ↓
Hi High (pH 8-9.5) 2.24 4.42 -43.81 3 3 1 34 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexyl]methanamine [1-[[4-[(1S)-1-methylpropyl]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) 2.24 6.27 -99.33 4 3 2 35 269.477 5 ↓
Hi High (pH 8-9.5) 2.24 4.39 -43.95 3 3 1 34 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-methyl-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2S,4R)-4-methyl-2-[[4-[(1R)-…

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) 2.10 6.33 -88.65 4 3 2 35 269.477 4 ↓
Hi High (pH 8-9.5) 2.10 4.39 -41.97 3 3 1 34 268.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-methyl-2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2S,4R)-4-methyl-2-[[4-[(1S)-…

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) 2.10 6.33 -88.63 4 3 2 35 269.477 4 ↓
Hi High (pH 8-9.5) 2.10 4.45 -41.92 3 3 1 34 268.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-4-methyl-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2R,4R)-4-methyl-2-[[4-[(1R)-…

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) 2.10 6.06 -93.28 4 3 2 35 269.477 4 ↓
Hi High (pH 8-9.5) 2.10 4.27 -43.46 3 3 1 34 268.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-4-methyl-2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2R,4R)-4-methyl-2-[[4-[(1S)-…

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) 2.10 5.99 -93.29 4 3 2 35 269.477 4 ↓
Hi High (pH 8-9.5) 2.10 4.16 -43.51 3 3 1 34 268.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-N,4-dimethyl-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2S,4R)-N,4-dimethyl-2-[[4-[(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 8.09 -83.6 3 3 2 24 283.504 5 ↓
Hi High (pH 8-9.5) 3.00 6.15 -36.46 2 3 1 23 282.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-N,4-dimethyl-2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2S,4R)-N,4-dimethyl-2-[[4-[(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 8.12 -83.77 3 3 2 24 283.504 5 ↓
Hi High (pH 8-9.5) 3.00 6.26 -36.62 2 3 1 23 282.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-N,4-dimethyl-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2R,4R)-N,4-dimethyl-2-[[4-[(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 7.66 -88.19 3 3 2 24 283.504 5 ↓
Hi High (pH 8-9.5) 3.00 5.74 -37.81 2 3 1 23 282.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-N,4-dimethyl-2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2R,4R)-N,4-dimethyl-2-[[4-[(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 7.71 -87.92 3 3 2 24 283.504 5 ↓
Hi High (pH 8-9.5) 3.00 5.89 -37.9 2 3 1 23 282.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-N-ethyl-4-methyl-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2S,4R)-N-ethyl-4-methyl-2-[[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 8.92 -82.86 3 3 2 24 297.531 6 ↓
Hi High (pH 8-9.5) 3.38 6.98 -35.12 2 3 1 23 296.523 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-N-ethyl-4-methyl-2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2S,4R)-N-ethyl-4-methyl-2-[[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 8.92 -82.88 3 3 2 24 297.531 6 ↓
Hi High (pH 8-9.5) 3.38 7.04 -35.1 2 3 1 23 296.523 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-N-ethyl-4-methyl-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2R,4R)-N-ethyl-4-methyl-2-[[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 8.63 -86.82 3 3 2 24 297.531 6 ↓
Hi High (pH 8-9.5) 3.38 6.84 -36.51 2 3 1 23 296.523 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-N-ethyl-4-methyl-2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2R,4R)-N-ethyl-4-methyl-2-[[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 8.56 -86.89 3 3 2 24 297.531 6 ↓
Hi High (pH 8-9.5) 3.38 6.74 -36.54 2 3 1 23 296.523 6 ↓

Parameters Provided:

ring.id = 14203
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 = 14203 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=14203&filter.purchasability=annotated

Embed Link to Results