Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_2huct8po20boqnddosn96uv9j7, 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: (1R)-1-phenyl-3-thiomorpholino-propan-1-ol (1R)-1-phenyl-3-thiomorpholino-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) 1.81 6.5 -40.68 2 2 1 25 238.376 4 ↓
Mid Mid (pH 6-8) 1.81 4.41 -4.4 1 2 0 23 237.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-phenyl-3-thiomorpholino-propan-1-ol (1S)-1-phenyl-3-thiomorpholino-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) 1.81 6.55 -40.38 2 2 1 25 238.376 4 ↓
Mid Mid (pH 6-8) 1.81 4.44 -4.58 1 2 0 23 237.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-phenyl-3-thiomorpholino-propan-1-amine (1S)-N-methyl-1-phenyl-3-thiomor…

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) 1.47 6.59 -43.59 2 2 1 20 251.419 5 ↓
Lo Low (pH 4.5-6) 1.47 7.62 -41.06 2 2 1 16 251.419 5 ↓
Lo Low (pH 4.5-6) 1.47 8.7 -120.1 3 2 2 21 252.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-phenyl-3-thiomorpholino-propan-1-amine (1R)-N-methyl-1-phenyl-3-thiomor…

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) 1.47 6.62 -43.27 2 2 1 20 251.419 5 ↓
Lo Low (pH 4.5-6) 1.47 7.57 -37.47 2 2 1 16 251.419 5 ↓
Lo Low (pH 4.5-6) 1.47 8.71 -120.07 3 2 2 21 252.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-1-phenyl-3-thiomorpholino-propan-1-amine (1S)-N-ethyl-1-phenyl-3-thiomorp…

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) 1.84 7.42 -41.85 2 2 1 20 265.446 6 ↓
Lo Low (pH 4.5-6) 1.84 8.54 -41.42 2 2 1 16 265.446 6 ↓
Lo Low (pH 4.5-6) 1.84 9.53 -119.4 3 2 2 21 266.454 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-1-phenyl-3-thiomorpholino-propan-1-amine (1R)-N-ethyl-1-phenyl-3-thiomorp…

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) 1.84 7.46 -41.66 2 2 1 20 265.446 6 ↓
Lo Low (pH 4.5-6) 1.84 8.5 -37.66 2 2 1 16 265.446 6 ↓
Lo Low (pH 4.5-6) 1.84 9.55 -119.48 3 2 2 21 266.454 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-phenyl-N-propyl-3-thiomorpholino-propan-1-amine (1S)-1-phenyl-N-propyl-3-thiomor…

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) 2.34 8.22 -42.75 2 2 1 20 279.473 7 ↓
Lo Low (pH 4.5-6) 2.34 9.37 -41.57 2 2 1 16 279.473 7 ↓
Lo Low (pH 4.5-6) 2.34 10.33 -122.04 3 2 2 21 280.481 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-phenyl-N-propyl-3-thiomorpholino-propan-1-amine (1R)-1-phenyl-N-propyl-3-thiomor…

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) 2.34 8.22 -42.51 2 2 1 20 279.473 7 ↓
Lo Low (pH 4.5-6) 2.34 9.25 -37.95 2 2 1 16 279.473 7 ↓
Lo Low (pH 4.5-6) 2.34 10.32 -121.72 3 2 2 21 280.481 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-3-thiomorpholino-propan-1-amine (1R)-1-(4-bromophenyl)-3-thiomor…

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) 0.92 5.52 -54.26 3 2 1 31 316.288 4 ↓
Hi High (pH 8-9.5) 0.92 5.18 -4.18 2 2 0 29 315.28 4 ↓
Lo Low (pH 4.5-6) 0.92 7.28 -43.88 3 2 1 30 316.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-3-thiomorpholino-propan-1-amine (1S)-1-(4-bromophenyl)-3-thiomor…

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) 0.92 5.52 -54.53 3 2 1 31 316.288 4 ↓
Hi High (pH 8-9.5) 0.92 5.22 -3.6 2 2 0 29 315.28 4 ↓
Lo Low (pH 4.5-6) 0.92 7.64 -134.28 4 2 2 32 317.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-N-methyl-3-thiomorpholino-propan-1-amine (1S)-1-(4-bromophenyl)-N-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) 2.27 7.21 -48.33 2 2 1 20 330.315 5 ↓
Hi High (pH 8-9.5) 2.27 6.1 -3.44 1 2 0 15 329.307 5 ↓
Lo Low (pH 4.5-6) 2.27 8.24 -43.82 2 2 1 16 330.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-N-methyl-3-thiomorpholino-propan-1-amine (1R)-1-(4-bromophenyl)-N-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) 2.27 7.25 -48.03 2 2 1 20 330.315 5 ↓
Hi High (pH 8-9.5) 2.27 6.11 -3.23 1 2 0 15 329.307 5 ↓
Lo Low (pH 4.5-6) 2.27 8.2 -40.34 2 2 1 16 330.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-N-ethyl-3-thiomorpholino-propan-1-amine (1S)-1-(4-bromophenyl)-N-ethyl-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 8.04 -46.74 2 2 1 20 344.342 6 ↓
Lo Low (pH 4.5-6) 2.65 9.18 -44.11 2 2 1 16 344.342 6 ↓
Lo Low (pH 4.5-6) 2.65 10.16 -126.77 3 2 2 21 345.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-N-ethyl-3-thiomorpholino-propan-1-amine (1R)-1-(4-bromophenyl)-N-ethyl-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 8.08 -46.45 2 2 1 20 344.342 6 ↓
Lo Low (pH 4.5-6) 2.65 9.12 -40.54 2 2 1 16 344.342 6 ↓
Lo Low (pH 4.5-6) 2.65 10.18 -126.87 3 2 2 21 345.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-N-propyl-3-thiomorpholino-propan-1-amine (1S)-1-(4-bromophenyl)-N-propyl-…

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) 3.15 8.79 -47.76 2 2 1 20 358.369 7 ↓
Lo Low (pH 4.5-6) 3.15 9.93 -44.41 2 2 1 16 358.369 7 ↓
Lo Low (pH 4.5-6) 3.15 10.91 -129.09 3 2 2 21 359.377 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-N-propyl-3-thiomorpholino-propan-1-amine (1R)-1-(4-bromophenyl)-N-propyl-…

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) 3.15 8.84 -47.5 2 2 1 20 358.369 7 ↓
Lo Low (pH 4.5-6) 3.15 9.88 -40.9 2 2 1 16 358.369 7 ↓
Lo Low (pH 4.5-6) 3.15 10.94 -129.2 3 2 2 21 359.377 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-3-thiomorpholino-propan-1-amine (1R)-1-(3-bromophenyl)-3-thiomor…

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) 0.90 5.51 -51.34 3 2 1 31 316.288 4 ↓
Hi High (pH 8-9.5) 0.90 5.21 -3.44 2 2 0 29 315.28 4 ↓
Lo Low (pH 4.5-6) 0.90 7.61 -129.84 4 2 2 32 317.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-3-thiomorpholino-propan-1-amine (1S)-1-(3-bromophenyl)-3-thiomor…

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) 0.90 5.51 -51.48 3 2 1 31 316.288 4 ↓
Hi High (pH 8-9.5) 0.90 5.17 -4.13 2 2 0 29 315.28 4 ↓
Lo Low (pH 4.5-6) 0.90 7.63 -130.26 4 2 2 32 317.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-N-methyl-3-thiomorpholino-propan-1-amine (1S)-1-(3-bromophenyl)-N-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) 2.25 7.2 -47.63 2 2 1 20 330.315 5 ↓
Hi High (pH 8-9.5) 2.25 6.09 -3.81 1 2 0 15 329.307 5 ↓
Lo Low (pH 4.5-6) 2.25 8.23 -42.92 2 2 1 16 330.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-N-methyl-3-thiomorpholino-propan-1-amine (1R)-1-(3-bromophenyl)-N-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) 2.25 7.24 -47.59 2 2 1 20 330.315 5 ↓
Hi High (pH 8-9.5) 2.25 6.1 -3.21 1 2 0 15 329.307 5 ↓
Lo Low (pH 4.5-6) 2.25 9.34 -126.07 3 2 2 21 331.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-N-ethyl-3-thiomorpholino-propan-1-amine (1S)-1-(3-bromophenyl)-N-ethyl-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 8.03 -45.9 2 2 1 20 344.342 6 ↓
Hi High (pH 8-9.5) 2.63 7.03 -3.65 1 2 0 15 343.334 6 ↓
Lo Low (pH 4.5-6) 2.63 10.16 -124.83 3 2 2 21 345.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-N-ethyl-3-thiomorpholino-propan-1-amine (1R)-1-(3-bromophenyl)-N-ethyl-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 8.07 -45.45 2 2 1 20 344.342 6 ↓
Hi High (pH 8-9.5) 2.63 7.04 -3.11 1 2 0 15 343.334 6 ↓
Lo Low (pH 4.5-6) 2.63 9.11 -39.4 2 2 1 16 344.342 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-N-propyl-3-thiomorpholino-propan-1-amine (1S)-1-(3-bromophenyl)-N-propyl-…

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) 3.13 8.78 -46.94 2 2 1 20 358.369 7 ↓
Lo Low (pH 4.5-6) 3.13 9.98 -43.27 2 2 1 16 358.369 7 ↓
Lo Low (pH 4.5-6) 3.13 10.9 -127.26 3 2 2 21 359.377 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-N-propyl-3-thiomorpholino-propan-1-amine (1R)-1-(3-bromophenyl)-N-propyl-…

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) 3.13 8.83 -46.44 2 2 1 20 358.369 7 ↓
Lo Low (pH 4.5-6) 3.13 10.93 -127.22 3 2 2 21 359.377 7 ↓
Lo Low (pH 4.5-6) 3.13 9.88 -39.88 2 2 1 16 358.369 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(p-tolyl)-3-thiomorpholino-propan-1-amine (1R)-1-(p-tolyl)-3-thiomorpholin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.56 5.58 -49.19 3 2 1 31 251.419 4 ↓
Lo Low (pH 4.5-6) 0.56 7.67 -126.47 4 2 2 32 252.427 4 ↓
Lo Low (pH 4.5-6) 0.56 7.33 -40.94 3 2 1 30 251.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(p-tolyl)-3-thiomorpholino-propan-1-amine (1S)-1-(p-tolyl)-3-thiomorpholin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.56 5.58 -49.49 3 2 1 31 251.419 4 ↓
Lo Low (pH 4.5-6) 0.56 7.38 -37.07 3 2 1 30 251.419 4 ↓
Lo Low (pH 4.5-6) 0.56 7.69 -127.02 4 2 2 32 252.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(p-tolyl)-3-thiomorpholino-propan-1-amine (1R)-N-methyl-1-(p-tolyl)-3-thio…

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 7.3 -43.39 2 2 1 20 265.446 5 ↓
Lo Low (pH 4.5-6) 1.91 9.38 -120.33 3 2 2 21 266.454 5 ↓
Lo Low (pH 4.5-6) 1.91 8.26 -40.99 2 2 1 16 265.446 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(p-tolyl)-3-thiomorpholino-propan-1-amine (1S)-N-methyl-1-(p-tolyl)-3-thio…

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 7.28 -43.57 2 2 1 20 265.446 5 ↓
Lo Low (pH 4.5-6) 1.91 8.3 -37.15 2 2 1 16 265.446 5 ↓
Lo Low (pH 4.5-6) 1.91 9.37 -120.28 3 2 2 21 266.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-1-(p-tolyl)-3-thiomorpholino-propan-1-amine (1S)-N-ethyl-1-(p-tolyl)-3-thiom…

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 8.1 -41.92 2 2 1 20 279.473 6 ↓
Lo Low (pH 4.5-6) 2.29 9.22 -41.26 2 2 1 16 279.473 6 ↓
Lo Low (pH 4.5-6) 2.29 10.21 -119.65 3 2 2 21 280.481 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-1-(p-tolyl)-3-thiomorpholino-propan-1-amine (1R)-N-ethyl-1-(p-tolyl)-3-thiom…

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 8.13 -41.72 2 2 1 20 279.473 6 ↓
Lo Low (pH 4.5-6) 2.29 10.23 -119.75 3 2 2 21 280.481 6 ↓
Lo Low (pH 4.5-6) 2.29 9.17 -37.57 2 2 1 16 279.473 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-propyl-1-(p-tolyl)-3-thiomorpholino-propan-1-amine (1S)-N-propyl-1-(p-tolyl)-3-thio…

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 8.85 -42.82 2 2 1 20 293.5 7 ↓
Lo Low (pH 4.5-6) 2.79 9.97 -41.55 2 2 1 16 293.5 7 ↓
Lo Low (pH 4.5-6) 2.79 10.96 -121.85 3 2 2 21 294.508 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-propyl-1-(p-tolyl)-3-thiomorpholino-propan-1-amine (1R)-N-propyl-1-(p-tolyl)-3-thio…

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 8.89 -42.59 2 2 1 20 293.5 7 ↓
Lo Low (pH 4.5-6) 2.79 10.99 -121.87 3 2 2 21 294.508 7 ↓
Lo Low (pH 4.5-6) 2.79 9.93 -37.81 2 2 1 16 293.5 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-1-phenyl-3-thiomorpholino-propan-1-amine (1S,2S)-2-methyl-1-phenyl-3-thio…

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) 0.59 5.64 -49.43 3 2 1 31 251.419 4 ↓
Hi High (pH 8-9.5) 0.59 5.38 -2.71 2 2 0 29 250.411 4 ↓
Lo Low (pH 4.5-6) 0.59 7.16 -40.36 3 2 1 30 251.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-1-phenyl-3-thiomorpholino-propan-1-amine (1S,2R)-2-methyl-1-phenyl-3-thio…

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) 0.59 5.79 -48.64 3 2 1 31 251.419 4 ↓
Hi High (pH 8-9.5) 0.59 5.54 -2.66 2 2 0 29 250.411 4 ↓
Lo Low (pH 4.5-6) 0.59 7.18 -40.42 3 2 1 30 251.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-1-phenyl-3-thiomorpholino-propan-1-amine (1R,2S)-2-methyl-1-phenyl-3-thio…

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) 0.59 5.69 -48.32 3 2 1 31 251.419 4 ↓
Hi High (pH 8-9.5) 0.59 5.35 -3.52 2 2 0 29 250.411 4 ↓
Lo Low (pH 4.5-6) 0.59 7.54 -124.01 4 2 2 32 252.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-1-phenyl-3-thiomorpholino-propan-1-amine (1R,2R)-2-methyl-1-phenyl-3-thio…

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) 0.59 5.7 -49.65 3 2 1 31 251.419 4 ↓
Hi High (pH 8-9.5) 0.59 5.37 -3.45 2 2 0 29 250.411 4 ↓
Lo Low (pH 4.5-6) 0.59 7.46 -126.22 4 2 2 32 252.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N,2-dimethyl-1-phenyl-3-thiomorpholino-propan-1-amine (1S,2S)-N,2-dimethyl-1-phenyl-3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 7.49 -43.17 2 2 1 20 265.446 5 ↓
Lo Low (pH 4.5-6) 2.84 8.2 -36.58 2 2 1 16 265.446 5 ↓
Lo Low (pH 4.5-6) 2.84 9.24 -119.27 3 2 2 21 266.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N,2-dimethyl-1-phenyl-3-thiomorpholino-propan-1-amine (1S,2R)-N,2-dimethyl-1-phenyl-3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 8.91 -35.95 2 2 1 20 265.446 5 ↓
Lo Low (pH 4.5-6) 2.84 8.31 -36.68 2 2 1 16 265.446 5 ↓
Lo Low (pH 4.5-6) 2.84 9.44 -112.62 3 2 2 21 266.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N,2-dimethyl-1-phenyl-3-thiomorpholino-propan-1-amine (1R,2S)-N,2-dimethyl-1-phenyl-3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 7.48 -42.52 2 2 1 20 265.446 5 ↓
Lo Low (pH 4.5-6) 2.84 8.55 -40.58 2 2 1 16 265.446 5 ↓
Lo Low (pH 4.5-6) 2.84 9.32 -117.62 3 2 2 21 266.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N,2-dimethyl-1-phenyl-3-thiomorpholino-propan-1-amine (1R,2R)-N,2-dimethyl-1-phenyl-3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 7.44 -43.47 2 2 1 20 265.446 5 ↓
Lo Low (pH 4.5-6) 2.84 8.23 -40.23 2 2 1 16 265.446 5 ↓
Lo Low (pH 4.5-6) 2.84 9.19 -119.33 3 2 2 21 266.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-methyl-1-phenyl-3-thiomorpholino-propan-1-amine (1R,2S)-N-ethyl-2-methyl-1-pheny…

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 8.29 -40.68 2 2 1 20 279.473 6 ↓
Lo Low (pH 4.5-6) 3.22 10.15 -116.81 3 2 2 21 280.481 6 ↓
Lo Low (pH 4.5-6) 3.22 9.28 -36.79 2 2 1 16 279.473 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-methyl-1-phenyl-3-thiomorpholino-propan-1-amine (1S,2S)-N-ethyl-2-methyl-1-pheny…

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 8.34 -41.34 2 2 1 20 279.473 6 ↓
Lo Low (pH 4.5-6) 3.22 9.12 -40.16 2 2 1 16 279.473 6 ↓
Lo Low (pH 4.5-6) 3.22 10.07 -118.22 3 2 2 21 280.481 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-methyl-1-phenyl-3-thiomorpholino-propan-1-amine (1R,2R)-N-ethyl-2-methyl-1-pheny…

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 8.29 -41.7 2 2 1 20 279.473 6 ↓
Lo Low (pH 4.5-6) 3.22 9.13 -36.67 2 2 1 16 279.473 6 ↓
Lo Low (pH 4.5-6) 3.22 10.04 -118.24 3 2 2 21 280.481 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-methyl-1-phenyl-3-thiomorpholino-propan-1-amine (1S,2R)-N-ethyl-2-methyl-1-pheny…

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 7.65 -40.75 2 2 1 20 279.473 6 ↓
Lo Low (pH 4.5-6) 3.22 9.49 -40.7 2 2 1 16 279.473 6 ↓
Lo Low (pH 4.5-6) 3.22 10.23 -107.33 3 2 2 21 280.481 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-1-phenyl-N-propyl-3-thiomorpholino-propan-1-amine (1R,2S)-2-methyl-1-phenyl-N-prop…

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) 3.72 8.96 -41.19 2 2 1 20 293.5 7 ↓
Lo Low (pH 4.5-6) 3.72 10.81 -109.08 3 2 2 21 294.508 7 ↓
Lo Low (pH 4.5-6) 3.72 9.85 -35.8 2 2 1 16 293.5 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-1-phenyl-N-propyl-3-thiomorpholino-propan-1-amine (1S,2S)-2-methyl-1-phenyl-N-prop…

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) 3.72 8.77 -42.24 2 2 1 20 293.5 7 ↓
Lo Low (pH 4.5-6) 3.72 9.75 -38.22 2 2 1 16 293.5 7 ↓
Lo Low (pH 4.5-6) 3.72 10.59 -112.09 3 2 2 21 294.508 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-1-phenyl-N-propyl-3-thiomorpholino-propan-1-amine (1R,2R)-2-methyl-1-phenyl-N-prop…

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) 3.72 8.79 -41.79 2 2 1 20 293.5 7 ↓
Lo Low (pH 4.5-6) 3.72 9.57 -36.2 2 2 1 16 293.5 7 ↓
Lo Low (pH 4.5-6) 3.72 10.63 -111.62 3 2 2 21 294.508 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-1-phenyl-N-propyl-3-thiomorpholino-propan-1-amine (1S,2R)-2-methyl-1-phenyl-N-prop…

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) 3.72 9.03 -40.84 2 2 1 20 293.5 7 ↓
Lo Low (pH 4.5-6) 3.72 9.83 -37.18 2 2 1 16 293.5 7 ↓
Lo Low (pH 4.5-6) 3.72 10.78 -108.89 3 2 2 21 294.508 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dimethyl-1-phenyl-N-propyl-3-thiomorpholino-propan-1-amine (1S)-2,2-dimethyl-1-phenyl-N-pro…

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) 4.13 9.47 -39.84 2 2 1 20 307.527 7 ↓
Lo Low (pH 4.5-6) 4.13 9.3 -37.2 2 2 1 16 307.527 7 ↓
Lo Low (pH 4.5-6) 4.13 10.15 -106.26 3 2 2 21 308.535 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dimethyl-1-phenyl-N-propyl-3-thiomorpholino-propan-1-amine (1R)-2,2-dimethyl-1-phenyl-N-pro…

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) 4.13 9.55 -39.95 2 2 1 20 307.527 7 ↓
Lo Low (pH 4.5-6) 4.13 9.3 -41.37 2 2 1 16 307.527 7 ↓
Lo Low (pH 4.5-6) 4.13 10.17 -106.63 3 2 2 21 308.535 7 ↓

Parameters Provided:

ring.id = 117663
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 = 117663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=117663&filter.purchasability=annotated

Embed Link to Results