| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 19 | Yes |
Popular Name: 4-[(1R)-2-amino-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethyl]-2-bromo-phenol 4-[(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) | 2.87 | 3.42 | -50.01 | 4 | 3 | 1 | 51 | 328.274 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 4.18 | -71.19 | 3 | 3 | 0 | 54 | 327.266 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 5.93 | -45.68 | 3 | 3 | 0 | 54 | 327.266 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 6.03 | -129.94 | 4 | 3 | 1 | 55 | 328.274 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 4.85 | -36.78 | 4 | 3 | 1 | 51 | 328.274 | 3 | ↓ |
