| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2011 | 21 | Yes |
Popular Name: (2S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (2S)-N-[2-(3,4-dihydro-1H-isoqui…
| 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) | 1.00 | 8.67 | -40.45 | 2 | 5 | 1 | 51 | 286.403 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 7.47 | -8.57 | 1 | 5 | 0 | 46 | 285.395 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 10.94 | -117.94 | 3 | 5 | 2 | 52 | 287.411 | 6 | ↓ |
