| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | Yes |
Popular Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(propylamino)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) | 1.40 | 5.94 | -109.69 | 4 | 3 | 2 | 41 | 250.386 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 2.26 | -4.43 | 2 | 3 | 0 | 35 | 248.37 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 4.14 | -30.49 | 2 | 3 | 0 | 43 | 248.37 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 3.61 | -41.14 | 3 | 3 | 1 | 40 | 249.378 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 6.49 | -43.27 | 3 | 3 | 1 | 44 | 249.378 | 6 | ↓ |
