| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 29 | 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) | 4.14 | 5.25 | -16.13 | 3 | 8 | 0 | 109 | 459.3 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 5.97 | -55.69 | 2 | 8 | -1 | 112 | 458.292 | 7 | ↓ |
