| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 21 | Yes |
Popular Name: 6-[(1S)-1-amino-2-(3,4-dimethylphenyl)ethyl]-3H-1,3-benzoxazol-2-one 6-[(1S)-1-amino-2-(3,4-dimethylp…
| 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) | 1.27 | 5.8 | -60.5 | 4 | 4 | 1 | 74 | 283.351 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 5.46 | -9.69 | 3 | 4 | 0 | 72 | 282.343 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 2.87 | -48.03 | 2 | 4 | -1 | 75 | 281.335 | 3 | ↓ |
