| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 35 | 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) | 3.99 | 8.65 | -61.92 | 0 | 7 | -1 | 82 | 477.581 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 10.91 | -76.48 | 1 | 7 | 0 | 83 | 478.589 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.99 | 10.15 | -56.6 | 2 | 7 | 1 | 81 | 479.597 | 8 | ↓ |
