| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2009 | 32 | 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) | 3.09 | 7.3 | -58.55 | 0 | 7 | -1 | 82 | 455.556 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 9.64 | -73.66 | 1 | 7 | 0 | 83 | 456.564 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.09 | 8.81 | -54.89 | 2 | 7 | 1 | 81 | 457.572 | 9 | ↓ |
