| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2009 | 29 | 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) | 3.52 | 10.26 | -94.48 | 0 | 5 | -2 | 97 | 400.515 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 9.48 | -57.59 | 1 | 5 | -1 | 94 | 401.523 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 7.51 | -18.66 | 2 | 5 | 0 | 92 | 402.531 | 4 | ↓ |
