| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2010 | 28 | 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) | 2.12 | 5.63 | -55.7 | 6 | 6 | 1 | 105 | 397.524 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 4.3 | -16.51 | 5 | 6 | 0 | 100 | 396.516 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 5.84 | -86.54 | 7 | 6 | 2 | 106 | 398.532 | 9 | ↓ |
