| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 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) | 3.29 | 9.99 | -40.45 | 0 | 6 | -1 | 86 | 455.313 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 8.63 | -24.09 | 1 | 6 | 0 | 83 | 456.321 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 9.59 | -16.28 | 0 | 6 | 0 | 80 | 456.321 | 4 | ↓ |
