| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 19 | Yes |
Popular Name: 4-[(1R)-2-amino-1-[(2S)-2-ethyl-1-piperidyl]ethyl]-2-bromo-phenol 4-[(1R)-2-amino-1-[(2S)-2-ethyl-…
| 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) | 3.02 | 3.48 | -49.2 | 4 | 3 | 1 | 51 | 328.274 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 5.87 | -44.11 | 3 | 3 | 0 | 54 | 327.266 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 4.24 | -71.6 | 3 | 3 | 0 | 54 | 327.266 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 5.98 | -125.19 | 4 | 3 | 1 | 55 | 328.274 | 4 | ↓ |
