| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2009 | 21 | Yes |
Popular Name: 6-[(1R)-1-(methylamino)-2-(p-tolyl)ethyl]-3H-1,3-benzoxazol-2-one 6-[(1R)-1-(methylamino)-2-(p-tol…
| 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) | 3.15 | 6.96 | -53.91 | 3 | 4 | 1 | 63 | 283.351 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 4.34 | -72.82 | 2 | 4 | 0 | 66 | 282.343 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 3.21 | -47.65 | 1 | 4 | -1 | 61 | 281.335 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 5.85 | -8.45 | 2 | 4 | 0 | 58 | 282.343 | 4 | ↓ |
