| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 18 | Yes |
Popular Name: 2-[(1R)-2-amino-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethyl]phenol 2-[(1R)-2-amino-1-[(3S,5S)-3,5-d…
| 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) | 2.29 | 4.63 | -118.65 | 5 | 3 | 2 | 52 | 250.386 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 5.3 | -32.52 | 3 | 3 | 0 | 54 | 248.37 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 5.42 | -89.86 | 4 | 3 | 1 | 55 | 249.378 | 3 | ↓ |
