| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 21 | Yes |
Popular Name: 2-bromo-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-6-methoxy-phenol 2-bromo-4-[[[(1S)-1-(4-fluorophe…
| 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) | 3.92 | 7.01 | -55.79 | 3 | 3 | 1 | 46 | 355.227 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 5.73 | -7.25 | 2 | 3 | 0 | 41 | 354.219 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 6.5 | -44.47 | 1 | 3 | -1 | 44 | 353.211 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 7.77 | -67.95 | 2 | 3 | 0 | 49 | 354.219 | 5 | ↓ |
