| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2007 | 37 | 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) | 4.52 | 12.71 | -72.19 | 1 | 7 | 0 | 83 | 500.595 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.52 | 10.17 | -59.06 | 0 | 7 | -1 | 82 | 499.587 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 1.64 | -49 | 1 | 7 | 1 | 77 | 501.603 | 10 | ↓ |
