| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 32 | 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) | 1.75 | 5.67 | -68.69 | 0 | 8 | -1 | 95 | 456.906 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 6.74 | -56.28 | 2 | 8 | 1 | 93 | 458.922 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 7.95 | -60.05 | 1 | 8 | 1 | 90 | 458.922 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 8.06 | -74.56 | 1 | 8 | 0 | 96 | 457.914 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 7.51 | -106.54 | 3 | 8 | 2 | 95 | 459.93 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 8.18 | -119.73 | 2 | 8 | 2 | 91 | 459.93 | 7 | ↓ |
