| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 18 | Yes |
Popular Name: 6-[(R)-amino(4-pyridyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-amino(4-pyridyl)methyl]-3…
| 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) | 1.28 | -0.63 | -86.68 | 3 | 5 | 0 | 90 | 241.25 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | -0.96 | -49.09 | 2 | 5 | -1 | 88 | 240.242 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 1.66 | -12.37 | 3 | 5 | 0 | 85 | 241.25 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 2.12 | -44.23 | 4 | 5 | 1 | 86 | 242.258 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | -0.5 | -71.21 | 3 | 5 | 0 | 89 | 241.25 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.83 | 2 | -67.89 | 4 | 5 | 1 | 87 | 242.258 | 2 | ↓ |
