Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_5ds6ntv62vja404eihcn5h01d7, 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

35017464
35017464
35017466
35017466
35017468
35017468
37847678
37847678
37847679
37847679

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-cyclohexyl-N-(3-isobutoxypropyl)cyclohexanamine (1R,2R)-2-cyclohexyl-N-(3-isobut…

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) 5.53 10.77 -37.58 2 2 1 26 296.519 8 ↓

Analogs

37847678
37847678
37847679
37847679
37847680
37847680
37847681
37847681
20546041
20546041

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-cyclohexyl-N-(3-isobutoxypropyl)cyclohexanamine (1S,2R)-2-cyclohexyl-N-(3-isobut…

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) 5.53 10.45 -39.13 2 2 1 26 296.519 8 ↓

Analogs

20546041
20546041
20546042
20546042
20546043
20546043

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-cyclohexyl-N-(3-isobutoxypropyl)cyclohexanamine (1R,2S)-2-cyclohexyl-N-(3-isobut…

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) 5.53 10.45 -39.12 2 2 1 26 296.519 8 ↓

Analogs

20546041
20546041
20546042
20546042
20546043
20546043

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-cyclohexyl-N-(3-isobutoxypropyl)cyclohexanamine (1S,2S)-2-cyclohexyl-N-(3-isobut…

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) 5.53 10.77 -37.57 2 2 1 26 296.519 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,4E)-2-[4-(4-heptylcyclohexyl)cyclohexyl]octa-2,4-dienoic (2Z,4E)-2-[4-(4-heptylcyclohexyl…

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) 8.80 18.56 -57.03 0 2 -1 40 401.655 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,4E)-2-[4-(4-cyanocyclohexyl)cyclohexyl]hexa-2,4-dienoic (2Z,4E)-2-[4-(4-cyanocyclohexyl)…

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) 4.06 12.41 -60.88 0 3 -1 64 300.422 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2E,4E)-hexa-2,4-dienoxy]-4-(4-pentylcyclohexyl)cyclohexane 1-[(2E,4E)-hexa-2,4-dienoxy]-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) 7.33 14.63 -1.52 0 1 0 9 332.572 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-heptyl-4-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]cyclohexane 1-heptyl-4-[4-[(2E,4E)-hexa-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) 8.29 16.19 -1.41 0 1 0 9 360.626 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2E,4E)-octa-2,4-dienoxy]-4-(4-propylcyclohexyl)cyclohexane 1-[(2E,4E)-octa-2,4-dienoxy]-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) 7.62 14.62 -1.38 0 1 0 9 332.572 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,4E)-2-[4-(4-propylcyclohexyl)cyclohexyl]octa-2,4-dienoic (2Z,4E)-2-[4-(4-propylcyclohexyl…

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) 7.20 15.68 -57.55 0 2 -1 40 345.547 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2E,4E)-hexa-2,4-dienoxy]-4-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]cyclohexane 1-[(2E,4E)-hexa-2,4-dienoxy]-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) 5.71 14.28 -3.69 0 2 0 18 358.566 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2E,4E)-hexa-2,4-dienoxy]-4-(4-propylcyclohexyl)cyclohexane 1-[(2E,4E)-hexa-2,4-dienoxy]-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) 6.32 13.07 -1.52 0 1 0 9 304.518 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-heptyl-4-[4-[(2E,4E)-octa-2,4-dienoxy]cyclohexyl]cyclohexane 1-heptyl-4-[4-[(2E,4E)-octa-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) 8.97 17.74 -1.29 0 1 0 9 388.68 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,4E)-2-[4-(4-heptylcyclohexyl)cyclohexyl]hepta-2,4-dienoic (2Z,4E)-2-[4-(4-heptylcyclohexyl…

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) 8.35 18 -54.51 0 2 -1 40 387.628 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2E,4E)-octa-2,4-dienoxy]-4-(4-pentylcyclohexyl)cyclohexane 1-[(2E,4E)-octa-2,4-dienoxy]-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) 8.49 16.18 -1.34 0 1 0 9 360.626 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2E,4E)-octa-2,4-dienoxy]-4-[4-[(2E,4E)-octa-2,4-dienoxy]cyclohexyl]cyclohexane 1-[(2E,4E)-octa-2,4-dienoxy]-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) 8.27 17.37 -3.34 0 2 0 18 414.674 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,4E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]octa-2,4-dienoic (2Z,4E)-2-[4-(4-pentylcyclohexyl…

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) 8.19 17 -56.98 0 2 -1 40 373.601 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,4E)-2-[4-(4-heptylcyclohexyl)cyclohexyl]hexa-2,4-dienoic (2Z,4E)-2-[4-(4-heptylcyclohexyl…

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) 7.92 17.24 -54.04 0 2 -1 40 373.601 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2E,4E)-hepta-2,4-dienoxy]-4-(4-pentylcyclohexyl)cyclohexane 1-[(2E,4E)-hepta-2,4-dienoxy]-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) 7.83 15.4 -1.41 0 1 0 9 346.599 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,4E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]hepta-2,4-dienoic (2Z,4E)-2-[4-(4-pentylcyclohexyl…

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) 7.41 16.43 -54.5 0 2 -1 40 359.574 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2E,4E)-hepta-2,4-dienoxy]-4-(4-heptylcyclohexyl)cyclohexane 1-[(2E,4E)-hepta-2,4-dienoxy]-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) 8.61 16.96 -1.35 0 1 0 9 374.653 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2E,4E)-hepta-2,4-dienoxy]-4-[4-[(2E,4E)-hepta-2,4-dienoxy]cyclohexyl]cyclohexane 1-[(2E,4E)-hepta-2,4-dienoxy]-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) 6.72 15.82 -3.44 0 2 0 18 386.62 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,4E)-2-[4-(4-propylcyclohexyl)cyclohexyl]hexa-2,4-dienoic (2Z,4E)-2-[4-(4-propylcyclohexyl…

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) 5.90 14.11 -54.01 0 2 -1 40 317.493 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2E,4E)-hepta-2,4-dienoxy]-4-(4-propylcyclohexyl)cyclohexane 1-[(2E,4E)-hepta-2,4-dienoxy]-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) 6.82 13.84 -1.49 0 1 0 9 318.545 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,4E)-2-[4-(4-propylcyclohexyl)cyclohexyl]hepta-2,4-dienoic (2Z,4E)-2-[4-(4-propylcyclohexyl…

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) 6.40 14.9 -57.51 0 2 -1 40 331.52 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,4E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]hexa-2,4-dienoic (2Z,4E)-2-[4-(4-pentylcyclohexyl…

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) 6.91 15.67 -54 0 2 -1 40 345.547 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1R,2R)-2-cyclohexylcyclohexyl]-N-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine N'-[(1R,2R)-2-cyclohexylcyclohex…

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) 4.17 7.19 -36.73 2 3 1 29 297.507 8 ↓
Lo Low (pH 4.5-6) 4.17 9.61 -116.11 3 3 2 30 298.515 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1S,2R)-2-cyclohexylcyclohexyl]-N-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine N'-[(1S,2R)-2-cyclohexylcyclohex…

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) 4.17 6.88 -39.15 2 3 1 29 297.507 8 ↓
Lo Low (pH 4.5-6) 4.17 9.25 -117.17 3 3 2 30 298.515 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-cyclohexyl-1-(3-methylsulfonylpropyl)cyclohexanamine (1R,2R)-2-cyclohexyl-1-(3-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) 3.79 5.15 -51.86 3 3 1 62 302.504 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-cyclohexyl-1-(3-methylsulfonylpropyl)cyclohexanamine (1S,2R)-2-cyclohexyl-1-(3-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) 3.79 5.52 -49.94 3 3 1 62 302.504 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-cyclohexyl-1-(3-methylsulfonylpropyl)cyclohexanamine (1R,2S)-2-cyclohexyl-1-(3-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) 3.79 5.61 -43.3 3 3 0 62 302.504 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-cyclohexyl-1-(3-methylsulfonylpropyl)cyclohexanamine (1S,2S)-2-cyclohexyl-1-(3-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) 3.79 5.17 -51.36 3 3 1 62 302.504 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-cyclohexyl-N-(3,3,3-trifluoropropyl)cyclohexanamine (1S,2S)-2-cyclohexyl-N-(3,3,3-tr…

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) 5.35 9.61 -42.54 2 1 1 17 278.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-cyclohexyl-N-(3,3,3-trifluoropropyl)cyclohexanamine (1S,2R)-2-cyclohexyl-N-(3,3,3-tr…

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) 5.35 9.32 -44.55 2 1 1 17 278.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-cyclohexyl-N-(3,3,3-trifluoropropyl)cyclohexanamine (1R,2S)-2-cyclohexyl-N-(3,3,3-tr…

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) 5.35 9.32 -44.55 2 1 1 17 278.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-cyclohexyl-N-(3,3,3-trifluoropropyl)cyclohexanamine (1R,2R)-2-cyclohexyl-N-(3,3,3-tr…

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) 5.35 9.61 -42.55 2 1 1 17 278.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-cyclohexyl-N-(1,1-dimethylprop-2-ynyl)cyclohexanamine (1R,2R)-2-cyclohexyl-N-(1,1-dime…

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) 5.13 9.63 -31.21 2 1 1 17 248.434 3 ↓
Hi High (pH 8-9.5) 5.13 8.82 -1.44 1 1 0 12 247.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-cyclohexyl-N-(1,1-dimethylprop-2-ynyl)cyclohexanamine (1S,2R)-2-cyclohexyl-N-(1,1-dime…

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) 5.13 9.36 -31.81 2 1 1 17 248.434 3 ↓
Hi High (pH 8-9.5) 5.13 8.47 -0.7 1 1 0 12 247.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-cyclohexyl-N-(1,1-dimethylprop-2-ynyl)cyclohexanamine (1R,2S)-2-cyclohexyl-N-(1,1-dime…

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) 5.13 9.34 -32.28 2 1 1 17 248.434 3 ↓
Hi High (pH 8-9.5) 5.13 8.26 -1.49 1 1 0 12 247.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-cyclohexyl-N-(1,1-dimethylprop-2-ynyl)cyclohexanamine (1S,2S)-2-cyclohexyl-N-(1,1-dime…

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) 5.13 9.69 -30.84 2 1 1 17 248.434 3 ↓
Hi High (pH 8-9.5) 5.13 8.82 -0.61 1 1 0 12 247.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 4.02 8.66 -39.32 2 3 1 43 254.394 5 ↓
Hi High (pH 8-9.5) 4.02 7.89 -4.23 1 3 0 38 253.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 4.02 8.35 -40.42 2 3 1 43 254.394 5 ↓
Hi High (pH 8-9.5) 4.02 7.45 -4.23 1 3 0 38 253.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 4.02 8.35 -40.47 2 3 1 43 254.394 5 ↓
Hi High (pH 8-9.5) 4.02 7.2 -4.35 1 3 0 38 253.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 4.02 8.66 -39.3 2 3 1 43 254.394 5 ↓
Hi High (pH 8-9.5) 4.02 7.84 -4.28 1 3 0 38 253.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R,2R)-2-cyclohexylcyclohexyl]amino]ethyl]methanesulfonamide N-[2-[[(1R,2R)-2-cyclohexylcyclo…

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) 3.32 4.61 -52.11 3 4 1 63 303.492 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S,2R)-2-cyclohexylcyclohexyl]amino]ethyl]methanesulfonamide N-[2-[[(1S,2R)-2-cyclohexylcyclo…

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) 3.32 4.28 -53.47 3 4 1 63 303.492 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R,2S)-2-cyclohexylcyclohexyl]amino]ethyl]methanesulfonamide N-[2-[[(1R,2S)-2-cyclohexylcyclo…

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) 3.32 4.29 -53.72 3 4 1 63 303.492 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S,2S)-2-cyclohexylcyclohexyl]amino]ethyl]methanesulfonamide N-[2-[[(1S,2S)-2-cyclohexylcyclo…

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) 3.32 4.61 -51.52 3 4 1 63 303.492 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S,2S)-2-cyclohexylcyclohexyl]amino]acetic 2-[[(1S,2S)-2-cyclohexylcyclohex…

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) 2.49 8.56 -30.59 2 3 0 57 239.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S,2R)-2-cyclohexylcyclohexyl]amino]acetic 2-[[(1S,2R)-2-cyclohexylcyclohex…

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) 2.49 8.26 -30.65 2 3 0 57 239.359 4 ↓

Parameters Provided:

ring.id = 14984
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 = 14984 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=14984&filter.purchasability=annotated

Embed Link to Results