| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 39 | 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) | 4.69 | 15.4 | -76.37 | 1 | 9 | 0 | 120 | 529.593 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.14 | 14.16 | -52.66 | 2 | 9 | 1 | 117 | 530.601 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.11 | 15.12 | -57.32 | 1 | 9 | 1 | 114 | 530.601 | 11 | ↓ |
