| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 17 | Yes |
Popular Name: 6-[(1S,2R)-1-amino-2-methyl-pentyl]-3H-1,3-benzoxazol-2-one 6-[(1S,2R)-1-amino-2-methyl-pent…
| 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) | 0.83 | 3.46 | -58.59 | 4 | 4 | 1 | 74 | 235.307 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 0.56 | -46.49 | 2 | 4 | -1 | 75 | 233.291 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 0.83 | -80.53 | 3 | 4 | 0 | 77 | 234.299 | 4 | ↓ |
