| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2007 | 35 | No |
| 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) | 2.81 | 7.25 | -64.15 | 1 | 8 | -1 | 112 | 473.505 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | -1.71 | -16.86 | 1 | 8 | 0 | 106 | 474.513 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 7.9 | -18.66 | 2 | 8 | 0 | 109 | 474.513 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.26 | 8.18 | -49.42 | 3 | 8 | 1 | 110 | 475.521 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | -1.6 | -48.19 | 2 | 8 | 1 | 107 | 475.521 | 9 | ↓ |
