Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_mg1i0g0dqf525lsqd7vamlbt62, 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-(3-chlorophenyl)-N-(1-naphthylmethyl)ethanamine (1R)-1-(3-chlorophenyl)-N-(1-nap…

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) 5.27 11.67 -46.36 2 1 1 17 296.821 4 ↓
Hi High (pH 8-9.5) 5.27 10.37 -4.61 1 1 0 12 295.813 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-chlorophenyl)-N-(1-naphthylmethyl)ethanamine (1S)-1-(3-chlorophenyl)-N-(1-nap…

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) 5.27 11.66 -45.24 2 1 1 17 296.821 4 ↓
Hi High (pH 8-9.5) 5.27 10.36 -4.41 1 1 0 12 295.813 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[[methyl(1-naphthylmethyl)amino]methyl]benzamide N,N-dimethyl-3-[[methyl(1-naphth…

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 12.02 -47.42 1 3 1 25 333.455 5 ↓
Mid Mid (pH 6-8) 3.24 9.65 -12.32 0 3 0 24 332.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(2-chloro-4,5-dimethoxyphenyl)methyl]- 1-naphthalenemethanamine, N-[(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) 4.31 10.07 -46.19 2 3 1 35 342.846 6 ↓
Mid Mid (pH 6-8) 4.31 8.65 -7.8 1 3 0 30 341.838 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-methoxy- 1-naphthalenemethanamine, N-[(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) 4.32 9.41 -41.53 2 4 1 44 372.872 7 ↓
Hi High (pH 8-9.5) 4.32 8.03 -8.82 1 4 0 40 371.864 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-ethoxy-N-[(2-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-etho…

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) 4.84 11.29 -37.18 2 2 1 26 306.429 6 ↓
Hi High (pH 8-9.5) 4.84 10.07 -5.17 1 2 0 21 305.421 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(2-methylphenyl)methyl]-2-propoxy- 1-naphthalenemethanamine, N-[(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) 5.34 12.09 -37.3 2 2 1 26 320.456 7 ↓
Hi High (pH 8-9.5) 5.34 10.87 -4.84 1 2 0 21 319.448 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-butoxy-N-[(2-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-buto…

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 12.86 -37.49 2 2 1 26 334.483 8 ↓
Hi High (pH 8-9.5) 5.90 11.65 -4.8 1 2 0 21 333.475 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(2-methylphenyl)methyl]-2-(pentyloxy)- 1-naphthalenemethanamine, N-[(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) 6.41 13.64 -37.59 2 2 1 26 348.51 9 ↓
Hi High (pH 8-9.5) 6.41 12.45 -4.71 1 2 0 21 347.502 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(hexyloxy)-N-[(2-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-(hex…

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 14.43 -37.77 2 2 1 26 362.537 10 ↓
Hi High (pH 8-9.5) 6.91 13.23 -4.67 1 2 0 21 361.529 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(1-methylethoxy)-N-[(2-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-(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) 5.20 11.9 -36.91 2 2 1 26 320.456 6 ↓
Mid Mid (pH 6-8) 5.20 10.55 -5.77 1 2 0 21 319.448 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(2-methylphenyl)methyl]-2-(1-methylpropoxy)- 1-naphthalenemethanamine, N-[(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) 5.70 12.72 -37.32 2 2 1 26 334.483 7 ↓
Hi High (pH 8-9.5) 5.70 11.51 -4.72 1 2 0 21 333.475 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(2-methylphenyl)methyl]-2-(1-methylpropoxy)- 1-naphthalenemethanamine, N-[(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) 5.70 12.73 -37.18 2 2 1 26 334.483 7 ↓
Hi High (pH 8-9.5) 5.70 11.52 -4.7 1 2 0 21 333.475 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(2-methylphenyl)methyl]-2-(2-methylpropoxy)- 1-naphthalenemethanamine, N-[(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) 5.59 12.77 -37.6 2 2 1 26 334.483 7 ↓
Mid Mid (pH 6-8) 5.59 11.4 -5.47 1 2 0 21 333.475 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(3-methylbutoxy)-N-[(2-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-(3-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) 6.12 13.38 -37.58 2 2 1 26 348.51 8 ↓
Mid Mid (pH 6-8) 6.12 12.01 -5.5 1 2 0 21 347.502 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(2-methoxyethoxy)-N-[(2-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-(2-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) 4.35 10.54 -37.72 2 3 1 35 336.455 8 ↓
Mid Mid (pH 6-8) 4.35 9.17 -7.71 1 3 0 30 335.447 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(2-ethoxyethoxy)-N-[(2-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-(2-e…

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) 4.73 11.51 -37.69 2 3 1 35 350.482 9 ↓
Hi High (pH 8-9.5) 4.73 10.3 -6.85 1 3 0 30 349.474 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-butoxy-N-[(4-fluorophenyl)methyl]- 1-naphthalenemethanamine, 2-buto…

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) 5.66 12.3 -44.61 2 2 1 26 338.446 8 ↓
Hi High (pH 8-9.5) 5.66 10.94 -5.35 1 2 0 21 337.438 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(4-fluorophenyl)methyl]-2-(pentyloxy)- 1-naphthalenemethanamine, N-[(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) 6.17 13.09 -44.74 2 2 1 26 352.473 9 ↓
Hi High (pH 8-9.5) 6.17 11.72 -5.37 1 2 0 21 351.465 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(4-fluorophenyl)methyl]-2-(hexyloxy)- 1-naphthalenemethanamine, N-[(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) 6.67 13.87 -44.84 2 2 1 26 366.5 10 ↓
Hi High (pH 8-9.5) 6.67 12.5 -5.34 1 2 0 21 365.492 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(4-fluorophenyl)methyl]-2-(1-methylpropoxy)- 1-naphthalenemethanamine, N-[(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) 5.47 12.16 -44.57 2 2 1 26 338.446 7 ↓
Hi High (pH 8-9.5) 5.47 10.79 -5.29 1 2 0 21 337.438 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(4-fluorophenyl)methyl]-2-(1-methylpropoxy)- 1-naphthalenemethanamine, N-[(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) 5.47 12.16 -44.23 2 2 1 26 338.446 7 ↓
Hi High (pH 8-9.5) 5.47 10.79 -5.29 1 2 0 21 337.438 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(4-fluorophenyl)methyl]-2-(2-methylpropoxy)- 1-naphthalenemethanamine, N-[(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) 5.35 12.22 -44.81 2 2 1 26 338.446 7 ↓
Hi High (pH 8-9.5) 5.35 10.85 -5.25 1 2 0 21 337.438 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(4-fluorophenyl)methyl]-2-(3-methylbutoxy)- 1-naphthalenemethanamine, N-[(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) 5.88 12.83 -44.75 2 2 1 26 352.473 8 ↓
Hi High (pH 8-9.5) 5.88 11.46 -5.23 1 2 0 21 351.465 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(4-fluorophenyl)methyl]-2-(2-methoxyethoxy)- 1-naphthalenemethanamine, N-[(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) 4.12 9.99 -44.69 2 3 1 35 340.418 8 ↓
Hi High (pH 8-9.5) 4.12 8.62 -7.44 1 3 0 30 339.41 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]- 1-naphthalenemethanamine, 2-(2-e…

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) 4.49 10.95 -44.66 2 3 1 35 354.445 9 ↓
Hi High (pH 8-9.5) 4.49 9.59 -7.36 1 3 0 30 353.437 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-ethoxy-N-[(3-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-etho…

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) 4.86 11.32 -38.09 2 2 1 26 306.429 6 ↓
Hi High (pH 8-9.5) 4.86 9.95 -5.44 1 2 0 21 305.421 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(3-methylphenyl)methyl]-2-propoxy- 1-naphthalenemethanamine, N-[(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) 5.37 12.12 -38.31 2 2 1 26 320.456 7 ↓
Hi High (pH 8-9.5) 5.37 10.75 -5.11 1 2 0 21 319.448 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-butoxy-N-[(3-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-buto…

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) 5.92 12.9 -38.44 2 2 1 26 334.483 8 ↓
Hi High (pH 8-9.5) 5.92 11.54 -5.1 1 2 0 21 333.475 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(3-methylphenyl)methyl]-2-(pentyloxy)- 1-naphthalenemethanamine, N-[(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) 6.43 13.68 -38.58 2 2 1 26 348.51 9 ↓
Hi High (pH 8-9.5) 6.43 12.33 -5.01 1 2 0 21 347.502 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(hexyloxy)-N-[(3-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-(hex…

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) 6.94 14.46 -38.65 2 2 1 26 362.537 10 ↓
Hi High (pH 8-9.5) 6.94 13.1 -5.04 1 2 0 21 361.529 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(1-methylethoxy)-N-[(3-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-(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) 5.23 11.94 -38.18 2 2 1 26 320.456 6 ↓
Hi High (pH 8-9.5) 5.23 10.59 -5.62 1 2 0 21 319.448 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(3-methylphenyl)methyl]-2-(1-methylpropoxy)- 1-naphthalenemethanamine, N-[(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) 5.73 12.76 -38.39 2 2 1 26 334.483 7 ↓
Hi High (pH 8-9.5) 5.73 11.39 -5 1 2 0 21 333.475 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(3-methylphenyl)methyl]-2-(1-methylpropoxy)- 1-naphthalenemethanamine, N-[(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) 5.73 12.76 -38.13 2 2 1 26 334.483 7 ↓
Hi High (pH 8-9.5) 5.73 11.39 -5.01 1 2 0 21 333.475 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(3-methylphenyl)methyl]-2-(2-methylpropoxy)- 1-naphthalenemethanamine, N-[(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) 5.61 12.81 -38.6 2 2 1 26 334.483 7 ↓
Hi High (pH 8-9.5) 5.61 11.46 -5.36 1 2 0 21 333.475 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(3-methylbutoxy)-N-[(3-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-(3-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) 6.14 13.42 -38.63 2 2 1 26 348.51 8 ↓
Hi High (pH 8-9.5) 6.14 12.07 -5.41 1 2 0 21 347.502 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-(2-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) 4.38 10.59 -38.72 2 3 1 35 336.455 8 ↓
Hi High (pH 8-9.5) 4.38 9.23 -7.64 1 3 0 30 335.447 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-(2-e…

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) 4.75 11.55 -38.72 2 3 1 35 350.482 9 ↓
Hi High (pH 8-9.5) 4.75 10.19 -7.24 1 3 0 30 349.474 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-methoxy-N-[(3-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-meth…

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) 4.49 10.4 -38.65 2 2 1 26 292.402 5 ↓
Hi High (pH 8-9.5) 4.49 9.04 -6.01 1 2 0 21 291.394 5 ↓

Analogs

43445152
43445152
43445153
43445153
43445155
43445155

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-butoxy-N-(phenylmethyl)- 1-naphthalenemethanamine, 2-buto…

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) 5.50 12.24 -38.38 2 2 1 26 320.456 8 ↓
Hi High (pH 8-9.5) 5.50 10.87 -5.04 1 2 0 21 319.448 8 ↓

Analogs

43445153
43445153

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(pentyloxy)-N-(phenylmethyl)- 1-naphthalenemethanamine, 2-(pen…

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) 6.01 13.02 -38.58 2 2 1 26 334.483 9 ↓
Hi High (pH 8-9.5) 6.01 11.66 -4.94 1 2 0 21 333.475 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(hexyloxy)-N-(phenylmethyl)- 1-naphthalenemethanamine, 2-(hex…

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) 6.51 13.8 -38.6 2 2 1 26 348.51 10 ↓
Hi High (pH 8-9.5) 6.51 12.43 -4.94 1 2 0 21 347.502 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(1-methylpropoxy)-N-(phenylmethyl)- 1-naphthalenemethanamine, 2-(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) 5.30 12.09 -38.3 2 2 1 26 320.456 7 ↓
Hi High (pH 8-9.5) 5.30 10.73 -4.95 1 2 0 21 319.448 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(1-methylpropoxy)-N-(phenylmethyl)- 1-naphthalenemethanamine, 2-(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) 5.30 12.09 -37.99 2 2 1 26 320.456 7 ↓
Hi High (pH 8-9.5) 5.30 10.73 -4.95 1 2 0 21 319.448 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(2-methylpropoxy)-N-(phenylmethyl)- 1-naphthalenemethanamine, 2-(2-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) 5.18 12.15 -38.51 2 2 1 26 320.456 7 ↓
Hi High (pH 8-9.5) 5.18 10.78 -4.88 1 2 0 21 319.448 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(3-methylbutoxy)-N-(phenylmethyl)- 1-naphthalenemethanamine, 2-(3-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) 5.72 12.76 -38.52 2 2 1 26 334.483 8 ↓
Hi High (pH 8-9.5) 5.72 11.39 -4.86 1 2 0 21 333.475 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(2-methoxyethoxy)-N-(phenylmethyl)- 1-naphthalenemethanamine, 2-(2-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) 3.95 9.92 -38.64 2 3 1 35 322.428 8 ↓
Hi High (pH 8-9.5) 3.95 8.55 -7.23 1 3 0 30 321.42 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-(2-ethoxyethoxy)-N-(phenylmethyl)- 1-naphthalenemethanamine, 2-(2-e…

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) 4.33 10.89 -38.64 2 3 1 35 336.455 9 ↓
Hi High (pH 8-9.5) 4.33 9.52 -7.14 1 3 0 30 335.447 9 ↓

Analogs

43445153
43445153

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, 2-butoxy-N-[(4-methylphenyl)methyl]- 1-naphthalenemethanamine, 2-buto…

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) 5.95 12.91 -38.29 2 2 1 26 334.483 8 ↓
Hi High (pH 8-9.5) 5.95 11.55 -5.06 1 2 0 21 333.475 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-[(4-methylphenyl)methyl]-2-(pentyloxy)- 1-naphthalenemethanamine, N-[(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) 6.46 13.69 -38.48 2 2 1 26 348.51 9 ↓
Hi High (pH 8-9.5) 6.46 12.34 -5.03 1 2 0 21 347.502 9 ↓

Parameters Provided:

ring.id = 56607
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 = 56607 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=56607&filter.purchasability=annotated

Embed Link to Results