| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2008 | 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) | 3.08 | 10.35 | -72.49 | 1 | 8 | 0 | 102 | 511.644 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 8.08 | -58.87 | 0 | 8 | -1 | 101 | 510.636 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 9.53 | -57.56 | 2 | 8 | 1 | 99 | 512.652 | 8 | ↓ |
