| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2004 | 36 | 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) | 5.44 | 8.92 | -23.06 | 3 | 8 | 0 | 120 | 515.62 | 5 | ↓ |
| Hi High (pH 8-9.5) | 6.35 | 5.93 | -106.35 | 1 | 8 | -2 | 126 | 513.604 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.89 | 7.68 | -55.67 | 2 | 8 | -1 | 123 | 514.612 | 5 | ↓ |
