| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2010 | 24 | Yes |
Popular Name: 4-[[[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propyl]amino]methyl]benzonitrile 4-[[[(2S)-3-(3,4-dihydro-1H-isoq…
| 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) | 2.03 | 6.27 | -57.81 | 3 | 4 | 1 | 64 | 322.432 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 4.84 | -8.99 | 2 | 4 | 0 | 59 | 321.424 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 8.6 | -132.35 | 4 | 4 | 2 | 65 | 323.44 | 6 | ↓ |
