| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2009 | 20 | Yes |
Popular Name: 6-[(S)-(2-iodophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(2-iodophenyl)-(methylami…
| 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) | 3.52 | 6.32 | -55.62 | 3 | 4 | 1 | 63 | 381.193 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 2.82 | -47.23 | 1 | 4 | -1 | 61 | 379.177 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.98 | 3.69 | -75.66 | 2 | 4 | 0 | 66 | 380.185 | 3 | ↓ |
