| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 18 | Yes |
Popular Name: 4-[(1R)-2-amino-1-[(3R)-3-methyl-1-piperidyl]ethyl]-2-bromo-phenol 4-[(1R)-2-amino-1-[(3R)-3-methyl…
| 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) | 2.40 | 2.74 | -45.51 | 4 | 3 | 1 | 51 | 314.247 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 5.32 | -46.96 | 3 | 3 | 0 | 54 | 313.239 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 3.51 | -60.84 | 3 | 3 | 0 | 54 | 313.239 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 5.44 | -129.1 | 4 | 3 | 1 | 55 | 314.247 | 3 | ↓ |
