Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_p9721r0ka4nl6u83ug3a1nkag0, 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: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-4-yl]ethanone 1-[2-(3,4-dihydro-1H-isoquinolin…

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) 2.62 8 -14.29 0 3 0 33 258.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 5.39 -10.82 1 7 0 81 384.841 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 5.37 -10.91 1 7 0 81 384.841 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.53 7.93 -14.45 1 6 0 72 365.842 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(3S)-2-thiazol-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine N-methyl-1-[(3S)-2-thiazol-2-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) 2.26 7.77 -39.56 2 3 1 33 260.386 3 ↓
Lo Low (pH 4.5-6) 2.26 6.93 -99.77 3 3 2 34 261.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(3R)-2-thiazol-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine N-methyl-1-[(3R)-2-thiazol-2-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) 2.26 7.82 -39.61 2 3 1 33 260.386 3 ↓
Lo Low (pH 4.5-6) 2.26 6.95 -99.83 3 3 2 34 261.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(3R)-2-(4-methylthiazol-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine N-methyl-1-[(3R)-2-(4-methylthia…

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 7.08 -51.24 2 3 1 33 274.413 3 ↓
Lo Low (pH 4.5-6) 2.48 7.5 -99.06 3 3 2 34 275.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(3S)-2-(4-methylthiazol-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine N-methyl-1-[(3S)-2-(4-methylthia…

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 7.11 -51.78 2 3 1 33 274.413 3 ↓
Lo Low (pH 4.5-6) 2.48 7.52 -99.28 3 3 2 34 275.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-2-thiazol-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3R)-2-thiazol-2-yl-3,4-dihydro…

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) 1.28 5.91 -44.6 3 3 1 44 246.359 2 ↓
Lo Low (pH 4.5-6) 1.28 5.09 -106.1 4 3 2 45 247.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-2-thiazol-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3S)-2-thiazol-2-yl-3,4-dihydro…

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) 1.28 5.89 -44.7 3 3 1 44 246.359 2 ↓
Lo Low (pH 4.5-6) 1.28 5.07 -106.18 4 3 2 45 247.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-2-(4-methylthiazol-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3R)-2-(4-methylthiazol-2-yl)-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) 1.50 5.22 -57.41 3 3 1 44 260.386 2 ↓
Lo Low (pH 4.5-6) 1.50 5.65 -105.48 4 3 2 45 261.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-2-(4-methylthiazol-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3S)-2-(4-methylthiazol-2-yl)-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) 1.50 5.21 -57.95 3 3 1 44 260.386 2 ↓
Lo Low (pH 4.5-6) 1.50 5.59 -105.65 4 3 2 45 261.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazole-5-carbaldehyde 2-(3,4-dihydro-1H-isoquinolin-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) 2.51 7.42 -8.39 0 3 0 33 244.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]ethanone 1-[2-(3,4-dihydro-1H-isoquinolin…

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) 2.62 8.12 -9.95 0 3 0 33 258.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-thiazol-5-yl]ethanone 1-[2-(3,4-dihydro-1H-isoquinolin…

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) 2.85 8.72 -8.2 0 3 0 33 272.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)thiazole-5-carbaldehyde 2-(6,7-dimethoxy-3,4-dihydro-1H-…

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) 2.14 6.61 -12.35 0 5 0 52 304.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-thiazol-5-yl]ethanamine (1R)-1-[2-(3,4-dihydro-1H-isoqui…

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) 0.81 6.87 -44.9 3 3 1 44 274.413 2 ↓
Mid Mid (pH 6-8) 0.81 6.52 -6.25 2 3 0 42 273.405 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-thiazol-5-yl]ethanamine (1S)-1-[2-(3,4-dihydro-1H-isoqui…

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) 0.81 6.88 -45.17 3 3 1 44 274.413 2 ↓
Mid Mid (pH 6-8) 0.81 6.55 -6.42 2 3 0 42 273.405 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]methanamine [2-(3,4-dihydro-1H-isoquinolin-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) 1.91 5.73 -46.61 3 3 1 44 246.359 2 ↓
Mid Mid (pH 6-8) 1.91 5.32 -5.99 2 3 0 42 245.351 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]ethanamine (1S)-1-[2-(3,4-dihydro-1H-isoqui…

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 6.37 -44.87 3 3 1 44 260.386 2 ↓
Mid Mid (pH 6-8) 0.59 6.04 -6.04 2 3 0 42 259.378 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]ethanamine (1R)-1-[2-(3,4-dihydro-1H-isoqui…

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 6.37 -45.1 3 3 1 44 260.386 2 ↓
Mid Mid (pH 6-8) 0.59 6.04 -5.22 2 3 0 42 259.378 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]methanamine [2-(6,7-dimethoxy-3,4-dihydro-1H…

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) 1.53 4.91 -51.26 3 5 1 62 306.411 4 ↓
Mid Mid (pH 6-8) 1.53 4.5 -9.59 2 5 0 61 305.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-thiazol-5-yl]-N-methyl-ethanamine (1R)-1-[2-(3,4-dihydro-1H-isoqui…

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) 3.06 8.58 -39.68 2 3 1 33 288.44 3 ↓
Hi High (pH 8-9.5) 3.06 7.3 -6.3 1 3 0 28 287.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-thiazol-5-yl]-N-methyl-ethanamine (1S)-1-[2-(3,4-dihydro-1H-isoqui…

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) 3.06 8.6 -39.86 2 3 1 33 288.44 3 ↓
Hi High (pH 8-9.5) 3.06 7.29 -5.5 1 3 0 28 287.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-thiazol-5-yl]-N-ethyl-ethanamine (1S)-1-[2-(3,4-dihydro-1H-isoqui…

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 9.41 -38.66 2 3 1 33 302.467 4 ↓
Hi High (pH 8-9.5) 3.44 8.23 -5.97 1 3 0 28 301.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-thiazol-5-yl]-N-ethyl-ethanamine (1R)-1-[2-(3,4-dihydro-1H-isoqui…

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 9.43 -38.09 2 3 1 33 302.467 4 ↓
Hi High (pH 8-9.5) 3.44 8.23 -5.27 1 3 0 28 301.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]-N-methyl-methanamine 1-[2-(3,4-dihydro-1H-isoquinolin…

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) 2.28 7.57 -41.07 2 3 1 33 260.386 3 ↓
Hi High (pH 8-9.5) 2.28 6.13 -5.53 1 3 0 28 259.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]methyl]ethanamine N-[[2-(3,4-dihydro-1H-isoquinoli…

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) 2.66 8.43 -40.13 2 3 1 33 274.413 4 ↓
Hi High (pH 8-9.5) 2.66 7.06 -5.36 1 3 0 28 273.405 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]methyl]propan-1-amine N-[[2-(3,4-dihydro-1H-isoquinoli…

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) 3.16 9.19 -40.9 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 3.16 7.83 -5.2 1 3 0 28 287.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]methyl]propan-2-amine N-[[2-(3,4-dihydro-1H-isoquinoli…

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) 2.96 8.97 -38.44 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 2.96 7.75 -5.27 1 3 0 28 287.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[2-(3,4-dihydro-1H-isoquinoli…

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) 3.47 9.39 -36.63 2 3 1 33 302.467 4 ↓
Hi High (pH 8-9.5) 3.47 8.14 -5.12 1 3 0 28 301.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[2-(3,4-dihydro-1H-isoquinoli…

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) 3.40 9.88 -40.92 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.40 8.66 -5.06 1 3 0 28 301.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]methyl]-2-methoxy-ethanamine N-[[2-(3,4-dihydro-1H-isoquinoli…

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 7.58 -40.58 2 4 1 42 304.439 6 ↓
Mid Mid (pH 6-8) 2.27 6.22 -6.46 1 4 0 37 303.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]-N-methyl-ethanamine (1S)-1-[2-(3,4-dihydro-1H-isoqui…

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 8.12 -39.52 2 3 1 33 274.413 3 ↓
Hi High (pH 8-9.5) 2.84 6.84 -4.89 1 3 0 28 273.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]-N-methyl-ethanamine (1R)-1-[2-(3,4-dihydro-1H-isoqui…

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 8.12 -39.76 2 3 1 33 274.413 3 ↓
Hi High (pH 8-9.5) 2.84 6.86 -5.71 1 3 0 28 273.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]-N-ethyl-ethanamine (1S)-1-[2-(3,4-dihydro-1H-isoqui…

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 8.96 -38.12 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.22 7.79 -5.6 1 3 0 28 287.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]-N-ethyl-ethanamine (1R)-1-[2-(3,4-dihydro-1H-isoqui…

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 8.96 -38.37 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.22 7.76 -4.73 1 3 0 28 287.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(3,4-dihydro-1H-iso…

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 9.72 -38.75 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.72 8.55 -5.49 1 3 0 28 301.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[2-(3,4-dihydro-1H-iso…

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 9.72 -39.06 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.72 8.51 -4.55 1 3 0 28 301.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazole-5-carboxylic 2-(3,4-dihydro-1H-isoquinolin-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) 2.30 8.27 -50.42 0 4 -1 56 259.31 2 ↓
Lo Low (pH 4.5-6) 2.30 8.71 -40.51 1 4 0 58 260.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-thiazol-5-yl]ethanol (1R)-1-[2-(3,4-dihydro-1H-isoqui…

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) 2.51 6.26 -6.85 1 3 0 36 274.389 2 ↓
Lo Low (pH 4.5-6) 2.51 6.65 -26.34 2 3 1 38 275.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-thiazol-5-yl]ethanol (1S)-1-[2-(3,4-dihydro-1H-isoqui…

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) 2.51 6.27 -6.76 1 3 0 36 274.389 2 ↓
Lo Low (pH 4.5-6) 2.51 6.67 -26.45 2 3 1 38 275.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]methanol [2-(3,4-dihydro-1H-isoquinolin-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) 2.06 4.99 -8.07 1 3 0 36 246.335 2 ↓
Lo Low (pH 4.5-6) 2.06 5.43 -28.79 2 3 1 38 247.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]ethanol (1S)-1-[2-(3,4-dihydro-1H-isoqui…

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 5.8 -6.69 1 3 0 36 260.362 2 ↓
Lo Low (pH 4.5-6) 2.29 6.22 -29.42 2 3 1 38 261.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]ethanol (1R)-1-[2-(3,4-dihydro-1H-isoqui…

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 5.79 -6.56 1 3 0 36 260.362 2 ↓
Lo Low (pH 4.5-6) 2.29 6.2 -29.26 2 3 1 38 261.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)thiazol-5-yl]methanol [2-(6,7-dimethoxy-3,4-dihydro-1H…

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) 1.68 4.17 -11.57 1 5 0 55 306.387 4 ↓
Lo Low (pH 4.5-6) 1.68 4.62 -34.98 2 5 1 56 307.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-thiazole-5-carbaldehyde 2-(3,4-dihydro-1H-isoquinolin-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) 2.74 7.94 -10.08 0 3 0 33 258.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethyl-thiazole-5-carbaldehyde 2-(3,4-dihydro-1H-isoquinolin-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) 3.31 8.67 -9.56 0 3 0 33 272.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-propyl-thiazole-5-carbaldehyde 2-(3,4-dihydro-1H-isoquinolin-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) 3.81 9.45 -9.28 0 3 0 33 286.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)thiazole-5-carbaldehyde 4-tert-butyl-2-(3,4-dihydro-1H-i…

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) 4.46 9.72 -8.78 0 3 0 33 300.427 3 ↓

Parameters Provided:

ring.id = 38237
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 = 38237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=38237&filter.purchasability=annotated

Embed Link to Results