| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 14 | Yes |
Popular Name: (1S)-2-[[(1S)-1-methylpropyl]amino]-1-(4-pyridyl)ethanol (1S)-2-[[(1S)-1-methylpropyl]ami…
| 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) | 0.83 | 2.43 | -40.36 | 3 | 3 | 1 | 50 | 195.286 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 1.06 | -6.02 | 2 | 3 | 0 | 45 | 194.278 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.83 | 2.87 | -89.7 | 4 | 3 | 2 | 51 | 196.294 | 5 | ↓ |
