| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 37 | 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) | 3.95 | 10.74 | -76.68 | 2 | 8 | 0 | 104 | 510.631 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 11.54 | -55.16 | 2 | 8 | 1 | 98 | 511.639 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.39 | 10.17 | -47.09 | 3 | 8 | 1 | 101 | 511.639 | 11 | ↓ |
