| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2006 | 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) | 1.76 | 3.98 | -59.6 | 1 | 8 | -1 | 108 | 412.418 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 3.1 | -28.21 | 2 | 8 | 0 | 106 | 413.426 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 4.12 | -18.69 | 1 | 8 | 0 | 102 | 413.426 | 8 | ↓ |
