| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2007 | 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) | 4.26 | 11.68 | -69.56 | 1 | 6 | 0 | 74 | 456.97 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.26 | 9.13 | -56.4 | 0 | 6 | -1 | 73 | 455.962 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 12.39 | -47.05 | 2 | 6 | 1 | 71 | 457.978 | 8 | ↓ |
