| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 35 | 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) | 5.48 | 14.28 | -73.21 | 1 | 6 | 0 | 74 | 478.633 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.48 | 11.99 | -58.13 | 0 | 6 | -1 | 73 | 477.625 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.90 | 2.05 | -42.56 | 1 | 6 | 1 | 68 | 479.641 | 12 | ↓ |
