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Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.61 4.62 -44.68 2 3 1 29 247.362 3 ↓
Lo Low (pH 4.5-6) 1.61 6.11 -120.54 3 3 2 30 248.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.61 4.49 -44.41 2 3 1 29 247.362 3 ↓
Lo Low (pH 4.5-6) 1.61 6.12 -118.55 3 3 2 30 248.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.63 2.12 -52.1 3 3 1 40 233.335 2 ↓
Lo Low (pH 4.5-6) 0.63 4.25 -124.59 4 3 2 41 234.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-2-[(3R)-tetrahydrofuran-3-yl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3S)-2-[(3R)-tetrahydrofuran-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) 0.63 2.11 -54.03 3 3 1 40 233.335 2 ↓
Lo Low (pH 4.5-6) 0.63 4.22 -126.99 4 3 2 41 234.343 2 ↓