| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 17 | Yes |
Popular Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(ethylamino)propan-2-ol (2S)-1-(3,4-dihydro-1H-isoquinol…
| 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) | 0.90 | 5.19 | -107.81 | 4 | 3 | 2 | 41 | 236.359 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 1.49 | -4.49 | 2 | 3 | 0 | 35 | 234.343 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 3.39 | -30.83 | 2 | 3 | 0 | 43 | 234.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 2.86 | -40.26 | 3 | 3 | 1 | 40 | 235.351 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 5.73 | -42.99 | 3 | 3 | 1 | 44 | 235.351 | 5 | ↓ |
