| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 30 | 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) | 4.41 | 12.3 | -79.84 | 1 | 5 | 0 | 65 | 447.362 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.86 | 12.14 | -43.28 | 2 | 5 | 1 | 62 | 448.37 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 12.12 | -43.97 | 1 | 5 | 1 | 59 | 448.37 | 7 | ↓ |
