| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 16 | Yes |
Popular Name: (3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pentanenitrile (3S)-3-(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) | 2.06 | 6.91 | -8.46 | 0 | 2 | 0 | 27 | 214.312 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 8.71 | -41.9 | 1 | 2 | 1 | 28 | 215.32 | 3 | ↓ |
