| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2007 | 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) | 3.68 | 11.52 | -77.07 | 1 | 8 | 0 | 93 | 496.604 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 11.5 | -45.85 | 2 | 8 | 1 | 90 | 497.612 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 1.85 | -49.57 | 1 | 8 | 1 | 86 | 497.612 | 12 | ↓ |
