| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2009 | 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) | 3.48 | 6.11 | -8.23 | 2 | 8 | 0 | 100 | 400.516 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 6.89 | -39.54 | 3 | 8 | 1 | 101 | 401.524 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 7.68 | -80.2 | 4 | 8 | 2 | 102 | 402.532 | 5 | ↓ |
