Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_p2sf52ac70srf5r1a8ajd626c7, 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: (1S)-1-cyclopropyl-N-[[(3S)-3-ethyl-3-piperidyl]methyl]-N-methyl-ethanamine (1S)-1-cyclopropyl-N-[[(3S)-3-et…

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) 2.33 7.58 -92.61 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 2.33 5.96 -36.4 2 2 1 20 225.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[[(3R)-3-ethyl-3-piperidyl]methyl]-N-methyl-ethanamine (1S)-1-cyclopropyl-N-[[(3R)-3-et…

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) 2.33 7.68 -98.41 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 2.33 6.16 -35.65 2 2 1 20 225.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-methyl-N-[[(3R)-3-methyl-3-piperidyl]methyl]ethanamine (1S)-1-cyclopropyl-N-methyl-N-[[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 7.26 -93.36 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 1.99 5.52 -36.57 2 2 1 20 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-methyl-N-[[(3R)-3-methyl-3-piperidyl]methyl]ethanamine (1R)-1-cyclopropyl-N-methyl-N-[[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 7.31 -93.45 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 1.99 5.7 -36.54 2 2 1 20 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-methyl-N-[[(3S)-3-propyl-3-piperidyl]methyl]ethanamine (1S)-1-cyclopropyl-N-methyl-N-[[…

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) 2.89 8.34 -102.34 3 2 2 21 240.435 6 ↓
Mid Mid (pH 6-8) 2.89 6.71 -35.92 2 2 1 20 239.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-methyl-N-[[(3R)-3-propyl-3-piperidyl]methyl]ethanamine (1S)-1-cyclopropyl-N-methyl-N-[[…

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) 2.89 8.56 -103.14 3 2 2 21 240.435 6 ↓
Mid Mid (pH 6-8) 2.89 6.93 -34.19 2 2 1 20 239.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3S)-3-ethyl-3-piperidyl]-N-methyl-methanamine N-(cyclopropylmethyl)-1-[(3S)-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) 2.00 7.41 -101.9 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.00 5.54 -36 2 2 1 20 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3R)-3-ethyl-3-piperidyl]-N-methyl-methanamine N-(cyclopropylmethyl)-1-[(3R)-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) 2.00 7.42 -101.82 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.00 5.93 -35.74 2 2 1 20 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-methyl-1-[(3S)-3-methyl-3-piperidyl]methanamine N-(cyclopropylmethyl)-N-methyl-1…

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) 1.66 6.8 -95.1 3 2 2 21 198.354 4 ↓
Mid Mid (pH 6-8) 1.66 5.09 -36.89 2 2 1 20 197.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-methyl-1-[(3R)-3-methyl-3-piperidyl]methanamine N-(cyclopropylmethyl)-N-methyl-1…

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) 1.66 6.98 -94.65 3 2 2 21 198.354 4 ↓
Mid Mid (pH 6-8) 1.66 5.12 -36.67 2 2 1 20 197.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-methyl-1-[(3S)-3-propyl-3-piperidyl]methanamine N-(cyclopropylmethyl)-N-methyl-1…

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 8.27 -96.62 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.56 8.01 -37.03 2 2 1 20 225.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-methyl-1-[(3R)-3-propyl-3-piperidyl]methanamine N-(cyclopropylmethyl)-N-methyl-1…

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 8.19 -107.73 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.56 6.44 -35.09 2 2 1 20 225.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3S)-3-ethyl-3-piperidyl]methanamine N-(cyclopropylmethyl)-1-[(3S)-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) 1.40 5.75 -98.39 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 1.40 4.41 -37.29 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 1.40 4.65 -36.5 3 2 1 29 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3R)-3-ethyl-3-piperidyl]methanamine N-(cyclopropylmethyl)-1-[(3R)-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) 1.40 5.75 -106 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 1.40 4.66 -37.2 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 1.40 4.4 -37.55 3 2 1 29 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3S)-3-methyl-3-piperidyl]methanamine N-(cyclopropylmethyl)-1-[(3S)-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) 1.07 5.3 -98.45 4 2 2 33 184.327 4 ↓
Hi High (pH 8-9.5) 1.07 3.98 -37.17 3 2 1 29 183.319 4 ↓
Hi High (pH 8-9.5) 1.07 4.13 -36.25 3 2 1 29 183.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3R)-3-methyl-3-piperidyl]methanamine N-(cyclopropylmethyl)-1-[(3R)-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) 1.07 5.3 -98.43 4 2 2 33 184.327 4 ↓
Hi High (pH 8-9.5) 1.07 4.12 -36.42 3 2 1 29 183.319 4 ↓
Hi High (pH 8-9.5) 1.07 4.16 -36.71 3 2 1 29 183.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3S)-3-propyl-3-piperidyl]methanamine N-(cyclopropylmethyl)-1-[(3S)-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) 1.96 6.51 -100.59 4 2 2 33 212.381 6 ↓
Hi High (pH 8-9.5) 1.96 5.42 -37.12 3 2 1 29 211.373 6 ↓
Hi High (pH 8-9.5) 1.96 5.17 -38.06 3 2 1 29 211.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3R)-3-propyl-3-piperidyl]methanamine N-(cyclopropylmethyl)-1-[(3R)-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) 1.96 6.51 -107.7 4 2 2 33 212.381 6 ↓
Hi High (pH 8-9.5) 1.96 5.16 -37.96 3 2 1 29 211.373 6 ↓
Hi High (pH 8-9.5) 1.96 5.42 -37.52 3 2 1 29 211.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-ethyl-3-piperidyl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3R)-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) 2.88 8.67 -100.61 3 2 2 21 240.435 7 ↓
Hi High (pH 8-9.5) 2.88 7.21 -31.58 2 2 1 16 239.427 7 ↓
Mid Mid (pH 6-8) 2.88 7.38 -37.65 2 2 1 20 239.427 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-ethyl-3-piperidyl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3S)-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) 2.88 8.85 -94.92 3 2 2 21 240.435 7 ↓
Hi High (pH 8-9.5) 2.88 7.42 -31.52 2 2 1 16 239.427 7 ↓
Mid Mid (pH 6-8) 2.88 6.89 -37.47 2 2 1 20 239.427 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-methyl-3-piperidyl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3R)-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) 2.54 8.36 -94.12 3 2 2 21 226.408 6 ↓
Hi High (pH 8-9.5) 2.54 7.21 -30.92 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.54 6.91 -37.01 2 2 1 20 225.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-methyl-3-piperidyl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3S)-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) 2.54 8.43 -95 3 2 2 21 226.408 6 ↓
Hi High (pH 8-9.5) 2.54 7.02 -31.5 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.54 6.85 -36.67 2 2 1 20 225.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-propyl-3-piperidyl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3S)-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) 3.44 9.29 -103 3 2 2 21 254.462 8 ↓
Hi High (pH 8-9.5) 3.44 8.28 -32.07 2 2 1 16 253.454 8 ↓
Mid Mid (pH 6-8) 3.44 7.8 -37.56 2 2 1 20 253.454 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-propyl-3-piperidyl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3R)-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) 3.44 9.37 -101.15 3 2 2 21 254.462 8 ↓
Hi High (pH 8-9.5) 3.44 8.03 -31.98 2 2 1 16 253.454 8 ↓
Mid Mid (pH 6-8) 3.44 7.76 -38.6 2 2 1 20 253.454 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-ethyl-3-piperidyl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3S)-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) 2.67 8.3 -92.87 3 2 2 21 240.435 6 ↓
Mid Mid (pH 6-8) 2.67 6.61 -37.11 2 2 1 20 239.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-ethyl-3-piperidyl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3R)-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) 2.67 8.24 -98.22 3 2 2 21 240.435 6 ↓
Mid Mid (pH 6-8) 2.67 6.61 -37.92 2 2 1 20 239.427 6 ↓

Analogs

42593607
42593607
42593610
42593610

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-methyl-3-piperidyl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3R)-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) 2.34 7.92 -93.29 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 2.34 6.08 -36.61 2 2 1 20 225.4 5 ↓

Analogs

42593607
42593607
42593610
42593610

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-methyl-3-piperidyl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3S)-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) 2.34 7.39 -95.1 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 2.34 6.14 -36.43 2 2 1 20 225.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-propyl-3-piperidyl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3S)-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) 3.23 8.96 -95.53 3 2 2 21 254.462 7 ↓
Mid Mid (pH 6-8) 3.23 7.36 -37.4 2 2 1 20 253.454 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-propyl-3-piperidyl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3R)-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) 3.23 8.75 -102.32 3 2 2 21 254.462 7 ↓
Mid Mid (pH 6-8) 3.23 7.33 -38.63 2 2 1 20 253.454 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-N-[[(3S)-3-ethyl-3-piperidyl]methyl]-2-methoxy-ethanamine N-[(1S)-1-cyclopropylethyl]-N-[[…

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) 2.31 5.74 -36.81 2 3 1 29 269.453 8 ↓
Mid Mid (pH 6-8) 2.31 7.35 -90.87 3 3 2 30 270.461 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-N-[[(3R)-3-ethyl-3-piperidyl]methyl]-2-methoxy-ethanamine N-[(1S)-1-cyclopropylethyl]-N-[[…

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) 2.31 5.94 -38.62 2 3 1 29 269.453 8 ↓
Mid Mid (pH 6-8) 2.31 7.52 -96.98 3 3 2 30 270.461 8 ↓

Analogs

42689363
42689363
42689365
42689365

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-(2-methoxyethyl)-N-[[(3R)-3-methyl-3-piperidyl]methyl]ethanamine (1S)-1-cyclopropyl-N-(2-methoxye…

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) 1.98 5.97 -37.26 2 3 1 29 255.426 7 ↓
Mid Mid (pH 6-8) 1.98 7.05 -93.9 3 3 2 30 256.434 7 ↓

Analogs

42689363
42689363
42689365
42689365

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-(2-methoxyethyl)-N-[[(3R)-3-methyl-3-piperidyl]methyl]ethanamine (1R)-1-cyclopropyl-N-(2-methoxye…

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) 1.98 5.55 -36.48 2 3 1 29 255.426 7 ↓
Mid Mid (pH 6-8) 1.98 6.98 -91.99 3 3 2 30 256.434 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-2-methoxy-N-[[(3S)-3-propyl-3-piperidyl]methyl]ethanamine N-[(1S)-1-cyclopropylethyl]-2-me…

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) 2.87 6.47 -37.42 2 3 1 29 283.48 9 ↓
Mid Mid (pH 6-8) 2.87 8.06 -92.68 3 3 2 30 284.488 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-2-methoxy-N-[[(3R)-3-propyl-3-piperidyl]methyl]ethanamine N-[(1S)-1-cyclopropylethyl]-2-me…

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) 2.87 6.58 -39.58 2 3 1 29 283.48 9 ↓
Mid Mid (pH 6-8) 2.87 8.03 -99.67 3 3 2 30 284.488 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-propyl-3-piperidyl]methyl]ethanamine N-(cyclopropylmethyl)-N-[[(3S)-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) 2.93 8.78 -95.91 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 2.93 6.83 -37.94 2 2 1 20 239.427 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-propyl-3-piperidyl]methyl]ethanamine N-(cyclopropylmethyl)-N-[[(3R)-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) 2.93 8.76 -101.58 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 2.93 7.01 -38.41 2 2 1 20 239.427 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclopropylmethyl)-1-[(3S)-1-propyl-3-piperidyl]ethanamine (1R)-N-(cyclopropylmethyl)-1-[(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) 2.98 8.6 -97.42 3 2 2 21 226.408 6 ↓
Hi High (pH 8-9.5) 2.98 7.52 -31.52 2 2 1 16 225.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclopropylmethyl)-1-[(3R)-1-propyl-3-piperidyl]ethanamine (1R)-N-(cyclopropylmethyl)-1-[(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) 2.98 8.72 -96.28 3 2 2 21 226.408 6 ↓
Hi High (pH 8-9.5) 2.98 7.73 -31.55 2 2 1 16 225.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclopropylmethyl)-1-[(3S)-1-ethyl-3-piperidyl]ethanamine (1R)-N-(cyclopropylmethyl)-1-[(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) 2.48 7.87 -95.97 3 2 2 21 212.381 5 ↓
Hi High (pH 8-9.5) 2.48 6.78 -30.82 2 2 1 16 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclopropylmethyl)-1-[(3R)-1-ethyl-3-piperidyl]ethanamine (1R)-N-(cyclopropylmethyl)-1-[(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) 2.48 7.97 -94.88 3 2 2 21 212.381 5 ↓
Hi High (pH 8-9.5) 2.48 6.99 -30.98 2 2 1 16 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclopropylmethyl)-1-[(3R)-1-methyl-3-piperidyl]ethanamine (1S)-N-(cyclopropylmethyl)-1-[(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) 2.10 7.23 -95.21 3 2 2 21 198.354 4 ↓
Hi High (pH 8-9.5) 2.10 6.19 -33.02 2 2 1 16 197.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclopropylmethyl)-1-[(3R)-1-methyl-3-piperidyl]ethanamine (1R)-N-(cyclopropylmethyl)-1-[(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) 2.10 7.32 -94.48 3 2 2 21 198.354 4 ↓
Hi High (pH 8-9.5) 2.10 6.34 -32.16 2 2 1 16 197.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclopropylmethyl)-1-[(3S)-1-methyl-3-piperidyl]ethanamine (1S)-N-(cyclopropylmethyl)-1-[(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) 2.10 7.31 -94.42 3 2 2 21 198.354 4 ↓
Hi High (pH 8-9.5) 2.10 6.13 -33.01 2 2 1 16 197.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclopropylmethyl)-1-[(3S)-1-methyl-3-piperidyl]ethanamine (1R)-N-(cyclopropylmethyl)-1-[(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) 2.10 7.21 -95.65 3 2 2 21 198.354 4 ↓
Hi High (pH 8-9.5) 2.10 6.13 -31.93 2 2 1 16 197.346 4 ↓

Parameters Provided:

ring.id = 293545
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 = 293545 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=293545&filter.purchasability=annotated

Embed Link to Results