| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 48 | 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) | 5.31 | 17.48 | -112.84 | 4 | 9 | 2 | 91 | 644.82 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.31 | 13.06 | -33.18 | 2 | 9 | 0 | 88 | 642.804 | 10 | ↓ |
| Mid Mid (pH 6-8) | 5.31 | 15.26 | -69.12 | 3 | 9 | 1 | 89 | 643.812 | 10 | ↓ |
