| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 21 | Yes |
Popular Name: 6-[(S)-amino-(4-isopropylphenyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-amino-(4-isopropylphenyl)…
| 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) | 3.63 | 5.68 | -61.97 | 4 | 4 | 1 | 74 | 283.351 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 2.72 | -47.72 | 2 | 4 | -1 | 75 | 281.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 3.06 | -81.36 | 3 | 4 | 0 | 77 | 282.343 | 3 | ↓ |
