| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 33 | 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) | 5.36 | 12.76 | -66.64 | 0 | 6 | -1 | 86 | 457.531 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.78 | 1.17 | -14.95 | 0 | 6 | 0 | 80 | 458.539 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.36 | 11.94 | -18.04 | 1 | 6 | 0 | 84 | 458.539 | 4 | ↓ |
