| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 33 | 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) | 2.60 | 8.85 | -87.17 | 2 | 8 | 0 | 99 | 449.507 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 6.32 | -71.93 | 1 | 8 | -1 | 98 | 448.499 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 7.68 | -62.4 | 3 | 8 | 1 | 96 | 450.515 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 8.64 | -68.67 | 2 | 8 | 1 | 93 | 450.515 | 8 | ↓ |
