| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2006 | 42 | 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) | 7.52 | 14.45 | -41.47 | 1 | 7 | 0 | 106 | 602.675 | 12 | ↓ |
| Hi High (pH 8-9.5) | 7.52 | 1.22 | -51.6 | 0 | 7 | -1 | 104 | 601.667 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 7.52 | 0.89 | -45.68 | 2 | 7 | 1 | 103 | 603.683 | 12 | ↓ |
