| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: 6-[(1S)-1-amino-2-(2-methoxyphenyl)ethyl]-3H-1,3-benzoxazol-2-one 6-[(1S)-1-amino-2-(2-methoxyphen…
| 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) | 0.45 | 4.33 | -52.84 | 4 | 5 | 1 | 83 | 285.323 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 1.41 | -48.19 | 2 | 5 | -1 | 84 | 283.307 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 1.7 | -72.27 | 3 | 5 | 0 | 86 | 284.315 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
