| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 20 | Yes |
Popular Name: 2-bromo-4-[[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]methyl]-6-methoxy-phenol 2-bromo-4-[[[(1R,8R)-2,3,5,6,7,8…
| 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) | 2.34 | 3.35 | -48.84 | 3 | 4 | 1 | 49 | 342.257 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 2.41 | -5.43 | 2 | 4 | 0 | 45 | 341.249 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 4.27 | -60.63 | 2 | 4 | 0 | 52 | 341.249 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 4.9 | -38.5 | 3 | 4 | 1 | 46 | 342.257 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 5.83 | -119.47 | 4 | 4 | 2 | 51 | 343.265 | 4 | ↓ |
