| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 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) | 1.72 | 5.52 | -60.76 | 0 | 8 | -1 | 95 | 448.499 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 8.65 | -52.14 | 2 | 8 | 1 | 93 | 450.515 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 7.88 | -70.11 | 1 | 8 | 0 | 96 | 449.507 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | 8.93 | -107.75 | 3 | 8 | 2 | 95 | 451.523 | 8 | ↓ |
