| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 1st, 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) | 3.70 | 4.29 | -53.58 | 2 | 5 | 1 | 99 | 412.439 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.70 | 4.11 | -105.86 | 3 | 5 | 2 | 101 | 413.447 | 4 | ↓ |
