| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2009 | 21 | Yes |
Popular Name: 6-[(1R)-2-(4-bromophenyl)-1-(methylamino)ethyl]-3H-1,3-benzoxazol-2-one 6-[(1R)-2-(4-bromophenyl)-1-(met…
| 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) | 3.51 | 6.91 | -58.61 | 3 | 4 | 1 | 63 | 348.22 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 4.29 | -76.58 | 2 | 4 | 0 | 66 | 347.212 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 3.21 | -47.13 | 1 | 4 | -1 | 61 | 346.204 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 5.83 | -10.55 | 2 | 4 | 0 | 58 | 347.212 | 4 | ↓ |
