Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_snhkkug924s7a52epv3aj07uh5, 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: (R)-(2-methylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanol (R)-(2-methylpyrazol-3-yl)-[(1R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 5.62 -6.57 1 3 0 38 242.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-methylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanol (S)-(2-methylpyrazol-3-yl)-[(1R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 5.56 -6.98 1 3 0 38 242.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-methylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanol (R)-(2-methylpyrazol-3-yl)-[(1S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 5.53 -6.99 1 3 0 38 242.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-methylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanol (S)-(2-methylpyrazol-3-yl)-[(1S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 5.6 -6.52 1 3 0 38 242.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-methylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanamine (R)-(2-methylpyrazol-3-yl)-[(1R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.49 5.17 -57.58 3 3 1 45 242.346 2 ↓
Hi High (pH 8-9.5) 0.49 5.98 -5.66 2 3 0 44 241.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-methylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanamine (S)-(2-methylpyrazol-3-yl)-[(1R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.49 5.92 -46.69 3 3 1 45 242.346 2 ↓
Hi High (pH 8-9.5) 0.49 5.59 -5.65 2 3 0 44 241.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-methylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanamine (R)-(2-methylpyrazol-3-yl)-[(1S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.49 5.9 -47.06 3 3 1 45 242.346 2 ↓
Hi High (pH 8-9.5) 0.49 5.59 -5.86 2 3 0 44 241.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-methylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanamine (S)-(2-methylpyrazol-3-yl)-[(1S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.49 5.33 -56.62 3 3 1 45 242.346 2 ↓
Hi High (pH 8-9.5) 0.49 4.99 -7.01 2 3 0 44 241.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(2-methylpyrazol-3-yl)-1-[(1R)-tetralin-1-yl]methanamine (1R)-N-methyl-1-(2-methylpyrazol…

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) 2.74 6.97 -50.16 2 3 1 34 256.373 3 ↓
Hi High (pH 8-9.5) 2.74 7.07 -5.33 1 3 0 30 255.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(2-methylpyrazol-3-yl)-1-[(1R)-tetralin-1-yl]methanamine (1S)-N-methyl-1-(2-methylpyrazol…

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) 2.74 7.25 -41.89 2 3 1 34 256.373 3 ↓
Hi High (pH 8-9.5) 2.74 6.07 -4.94 1 3 0 30 255.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(2-methylpyrazol-3-yl)-1-[(1S)-tetralin-1-yl]methanamine (1R)-N-methyl-1-(2-methylpyrazol…

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) 2.74 7.62 -40.87 2 3 1 34 256.373 3 ↓
Hi High (pH 8-9.5) 2.74 5.87 -5.78 1 3 0 30 255.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(2-methylpyrazol-3-yl)-1-[(1S)-tetralin-1-yl]methanamine (1S)-N-methyl-1-(2-methylpyrazol…

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) 2.74 6.93 -50.38 2 3 1 34 256.373 3 ↓
Hi High (pH 8-9.5) 2.74 6.97 -5.22 1 3 0 30 255.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methyl]ethanamine N-[(R)-(2-methylpyrazol-3-yl)-[(…

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) 3.12 8.6 -47.26 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 3.12 8.41 -4.97 1 3 0 30 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methyl]ethanamine N-[(S)-(2-methylpyrazol-3-yl)-[(…

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) 3.12 8.45 -39.31 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 3.12 7.61 -4.86 1 3 0 30 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methyl]ethanamine N-[(R)-(2-methylpyrazol-3-yl)-[(…

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) 3.12 8.45 -38.93 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 3.12 7.57 -5.25 1 3 0 30 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methyl]ethanamine N-[(S)-(2-methylpyrazol-3-yl)-[(…

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) 3.12 7.68 -48.7 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 3.12 6.71 -6.02 1 3 0 30 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methyl]propan-1-amine N-[(R)-(2-methylpyrazol-3-yl)-[(…

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) 3.62 9.36 -47.91 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.62 9.18 -4.87 1 3 0 30 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methyl]propan-1-amine N-[(S)-(2-methylpyrazol-3-yl)-[(…

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) 3.62 9.22 -39.86 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.62 8.38 -4.77 1 3 0 30 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methyl]propan-1-amine N-[(R)-(2-methylpyrazol-3-yl)-[(…

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) 3.62 9.22 -39.43 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.62 8.33 -5.15 1 3 0 30 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methyl]propan-1-amine N-[(S)-(2-methylpyrazol-3-yl)-[(…

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) 3.62 8.45 -49.62 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.62 7.49 -5.96 1 3 0 30 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-propylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanol (R)-(2-propylpyrazol-3-yl)-[(1R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 7.37 -6.56 1 3 0 38 270.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-propylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanol (S)-(2-propylpyrazol-3-yl)-[(1R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 7.16 -6.51 1 3 0 38 270.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-propylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanol (R)-(2-propylpyrazol-3-yl)-[(1S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 7.08 -6.44 1 3 0 38 270.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-propylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanol (S)-(2-propylpyrazol-3-yl)-[(1S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 7.21 -6.04 1 3 0 38 270.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-ethylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanol (R)-(2-ethylpyrazol-3-yl)-[(1R)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 6.62 -6.83 1 3 0 38 256.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-ethylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanol (S)-(2-ethylpyrazol-3-yl)-[(1R)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 6.41 -6.8 1 3 0 38 256.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-ethylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanol (R)-(2-ethylpyrazol-3-yl)-[(1S)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 6.33 -6.7 1 3 0 38 256.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-ethylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanol (S)-(2-ethylpyrazol-3-yl)-[(1S)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 6.46 -6.28 1 3 0 38 256.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-propylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanamine (R)-(2-propylpyrazol-3-yl)-[(1R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 7.5 -54.2 3 3 1 45 270.4 4 ↓
Hi High (pH 8-9.5) 1.37 7.47 -6.99 2 3 0 44 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-propylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanamine (S)-(2-propylpyrazol-3-yl)-[(1R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 7.52 -46.82 3 3 1 45 270.4 4 ↓
Hi High (pH 8-9.5) 1.37 7.22 -5.32 2 3 0 44 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-propylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanamine (R)-(2-propylpyrazol-3-yl)-[(1S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 7.43 -47.06 3 3 1 45 270.4 4 ↓
Hi High (pH 8-9.5) 1.37 7.1 -5.19 2 3 0 44 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-propylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanamine (S)-(2-propylpyrazol-3-yl)-[(1S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 6.94 -56.73 3 3 1 45 270.4 4 ↓
Hi High (pH 8-9.5) 1.37 7.58 -5.14 2 3 0 44 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-ethylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanamine (R)-(2-ethylpyrazol-3-yl)-[(1R)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.87 6.75 -54.81 3 3 1 45 256.373 3 ↓
Hi High (pH 8-9.5) 0.87 6.73 -5.31 2 3 0 44 255.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-ethylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methanamine (S)-(2-ethylpyrazol-3-yl)-[(1R)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.87 6.76 -46.73 3 3 1 45 256.373 3 ↓
Hi High (pH 8-9.5) 0.87 6.44 -5.44 2 3 0 44 255.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-ethylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanamine (R)-(2-ethylpyrazol-3-yl)-[(1S)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.87 6.68 -47.02 3 3 1 45 256.373 3 ↓
Hi High (pH 8-9.5) 0.87 6.41 -5.73 2 3 0 44 255.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-ethylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methanamine (S)-(2-ethylpyrazol-3-yl)-[(1S)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.87 6.19 -56.64 3 3 1 45 256.373 3 ↓
Hi High (pH 8-9.5) 0.87 5.85 -6.92 2 3 0 44 255.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(2-propylpyrazol-3-yl)-1-[(1R)-tetralin-1-yl]methanamine (1R)-N-methyl-1-(2-propylpyrazol…

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) 3.62 8.65 -41.6 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.62 9.15 -6.39 1 3 0 30 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(2-propylpyrazol-3-yl)-1-[(1R)-tetralin-1-yl]methanamine (1S)-N-methyl-1-(2-propylpyrazol…

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) 3.62 8.86 -41.52 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.62 7.48 -5.33 1 3 0 30 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(2-propylpyrazol-3-yl)-1-[(1S)-tetralin-1-yl]methanamine (1R)-N-methyl-1-(2-propylpyrazol…

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) 3.62 9.09 -40.84 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.62 7.25 -4.26 1 3 0 30 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(2-propylpyrazol-3-yl)-1-[(1S)-tetralin-1-yl]methanamine (1S)-N-methyl-1-(2-propylpyrazol…

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) 3.62 8.66 -49.72 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.62 6.7 -5.46 1 3 0 30 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-[(1R)-tetralin-1-yl]methanamine (1R)-1-(2-ethylpyrazol-3-yl)-N-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) 3.12 7.91 -41.64 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 3.12 8.16 -6.5 1 3 0 30 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-[(1R)-tetralin-1-yl]methanamine (1S)-1-(2-ethylpyrazol-3-yl)-N-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) 3.12 8.11 -41.46 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 3.12 6.73 -5.59 1 3 0 30 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-[(1S)-tetralin-1-yl]methanamine (1R)-1-(2-ethylpyrazol-3-yl)-N-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) 3.12 8.34 -40.86 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 3.12 6.6 -4.57 1 3 0 30 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-[(1S)-tetralin-1-yl]methanamine (1S)-1-(2-ethylpyrazol-3-yl)-N-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) 3.12 7.91 -49.69 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 3.12 5.94 -5.7 1 3 0 30 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-yl)-[(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) 3.50 8.76 -47.26 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.50 6.84 -5.59 1 3 0 30 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-[(1R)-tetralin-1-yl]methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-yl)-[(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) 3.50 8.85 -39.47 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.50 7.42 -4.27 1 3 0 30 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-yl)-[(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) 3.50 9.31 -38.68 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.50 7.63 -5.38 1 3 0 30 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-[(1S)-tetralin-1-yl]methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-yl)-[(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) 3.50 8.27 -47.54 2 3 1 34 284.427 5 ↓
Hi High (pH 8-9.5) 3.50 8.58 -4.67 1 3 0 30 283.419 5 ↓

Parameters Provided:

ring.id = 342866
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 = 342866 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=342866&filter.purchasability=annotated

Embed Link to Results