| 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 | 6.28 | -65.24 | 0 | 8 | -1 | 95 | 456.906 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 7.31 | -57.97 | 2 | 8 | 1 | 93 | 458.922 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 8.51 | -59.59 | 1 | 8 | 1 | 90 | 458.922 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 8.61 | -75.09 | 1 | 8 | 0 | 96 | 457.914 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 8.54 | -108.62 | 3 | 8 | 2 | 95 | 459.93 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 9.22 | -122.38 | 2 | 8 | 2 | 91 | 459.93 | 7 | ↓ |
